2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V007-5905 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7372 |
| logD: | 2.7372 |
| logSw: | -3.145 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.101 |
| InChI Key: | VDWWTEAXROCQFZ-UHFFFAOYSA-N |