N,N-diethyl-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N,N-diethyl-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | V013-2493 |
| Compound Name: | N,N-diethyl-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2cccc(c2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8698 |
| logD: | 3.8698 |
| logSw: | -4.0242 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.932 |
| InChI Key: | CACIMKQGMGHFGJ-UHFFFAOYSA-N |