methyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V002-8728 |
| Compound Name: | methyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C17 H16 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2ccco2)n1c1cc(ccc1C)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1297 |
| logD: | 4.1282 |
| logSw: | -4.4958 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.435 |
| InChI Key: | QXYIZJPBSIMQKA-NSHDSACASA-N |