ethyl 2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V011-0403 |
| Compound Name: | ethyl 2-{[5-benzyl-4-(2-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)n1c1ccccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.515 |
| logD: | 5.515 |
| logSw: | -5.3934 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.413 |
| InChI Key: | GCXIANDTCSQDOD-FQEVSTJZSA-N |