2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V020-2748 |
| Compound Name: | 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C19 H19 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCC(N1CCOCC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8988 |
| logD: | 2.8985 |
| logSw: | -3.3099 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.291 |
| InChI Key: | QTLKRBISNYYAJP-UHFFFAOYSA-N |