ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V008-8782 |
| Compound Name: | ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(Cc2ccccc2)n1c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6199 |
| logD: | 4.6199 |
| logSw: | -4.389 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.714 |
| InChI Key: | NXYDIALCCIVCIP-INIZCTEOSA-N |