11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol

1. Names and Identifiers

1.1 Name: 11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol

1.2 Synonyms: 11-Benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo [7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ol; 11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol; 2-(Chloromethyl)-5,6,7,8-tetrahydro-7-(phenylmethyl)pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one; Pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-(chloromethyl)-5,6,7,8-tetrahydro-7-(phenylmethyl)-;

1.6 Inchi: InChI=1S/C17H16ClN3OS/c18-8-14-19-16(22)15-12-6-7-21(9-11-4-2-1-3-5-11)10-13(12)23-17(15)20-14/h1-5H,6-10H2,(H,19,20,22)

2. Computed Properties

Molecular Weight：345.845g/mol
Molecular Formula：C₁₇H₁₆ClN₃OS
Compound Is Canonicalized：True
Exact Mass：2.7
XLogP3-AA：345.0702610
Monoisotopic Mass：345.0702610
Complexity：494
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：72.9
Heavy Atom Count：：23
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7IABEAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAFgBwAAAHgYQAAAADAPB2EQxgYPAAAisAiNydACDAIFkCBAJiBEYRMgIIDqg3ZHEIYhglACoyUcYgQAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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$11-Benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo [7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ol$

Manchester Organics

Tel: Update Time:2019/11/25

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4. Realated Product Infomation

1. Names and Identifiers