2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V014-2672 |
| Compound Name: | 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 404.92 |
| Molecular Formula: | C19 H21 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2ccco2)n1c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9381 |
| logD: | 3.9377 |
| logSw: | -4.1671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.666 |
| InChI Key: | ALWGQOGECRUNRP-UHFFFAOYSA-N |