ethyl 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V001-8688 |
| Compound Name: | ethyl 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C20 H23 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2cccs2)n1c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7112 |
| logD: | 5.7106 |
| logSw: | -5.379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.756 |
| InChI Key: | RRYGKJIIGRPPSP-KRWDZBQOSA-N |