ethyl 2-{[5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V007-6012 |
| Compound Name: | ethyl 2-{[5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2cccc(c2)OC)n1c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0069 |
| logD: | 6.0069 |
| logSw: | -5.4453 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.282 |
| InChI Key: | VPLZMRGJQZSHFP-FQEVSTJZSA-N |