2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-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-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V019-7951 |
| Compound Name: | 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C19 H19 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCC(N1CCCC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8386 |
| logD: | 3.8382 |
| logSw: | -4.1819 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.748 |
| InChI Key: | VJNRDRPXUOOMRY-UHFFFAOYSA-N |