2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V013-6202 |
| Compound Name: | 2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccccc1)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7703 |
| logD: | 3.7703 |
| logSw: | -3.9776 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.015 |
| InChI Key: | WJQLSKTZRQXGQD-UHFFFAOYSA-N |