ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
Compound ID: | V010-7837 |
Compound Name: | ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
Molecular Weight: | 409.55 |
Molecular Formula: | C23 H27 N3 O2 S |
Salt: | not_available |
Smiles: | CCCC(C(=O)OCC)Sc1nnc(Cc2ccccc2)n1c1ccc(C)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5794 |
logD: | 5.5794 |
logSw: | -5.4084 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 46.714 |
InChI Key: | ADJPHSHDNPKZLY-FQEVSTJZSA-N |