2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V015-5476 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C21 H21 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2ccccc2[Cl])nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8399 |
| logD: | 3.8398 |
| logSw: | -4.1955 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.8 |
| InChI Key: | JXNOPRYFFUUOHH-UHFFFAOYSA-N |