2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)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-(3-methoxyphenyl)ethan-1-one
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V012-0353 |
| Compound Name: | 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCC(c1cccc(c1)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2191 |
| logD: | 5.2191 |
| logSw: | -5.7476 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.781 |
| InChI Key: | KKSDYWZLMGVFAQ-UHFFFAOYSA-N |