 Home > Encyclopedia > 4-[[1-(2-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

4-[[1-(2-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

4-[[1-(2-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine structure

CAS No:
851467-44-2
Formula:
C25H26ClN5S2
Chemical Name:
4-[[1-(2-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Synonyms:
ZINC3353937;AKOS001101627;MCULE-6635137014;Z57986800;3-{[1-(2-chlorophenyl)-5-cyclohexyl-1H-1,2,4-triazol-3-yl]sulfanyl}-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene;851467-44-2

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4-[[1-(2-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Basic Attributes

Molecular Weight：

496.1 g/mol

Exact Mass：

495.1318159 g/mol

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:496.1
XLogP3:8.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:495.1318159
Monoisotopic Mass:495.1318159
Topological Polar Surface Area:110
Heavy Atom Count:33
Complexity:667
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[1-(2-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Basic Attributes
Characteristics
Computed Properties

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