2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V003-1748 |
| Compound Name: | 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 463.38 |
| Molecular Formula: | C21 H20 Cl2 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccc(c(c1)[Cl])[Cl])SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.122 |
| logD: | 5.122 |
| logSw: | -5.7844 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.015 |
| InChI Key: | YFAAJMYZSDDLAW-UHFFFAOYSA-N |