2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide
Compound characteristics
| Compound ID: | 3448-0645 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C20 H19 Cl N4 O2 S |
| Smiles: | CC(C(C(N(C)C)=O)Sc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2329 |
| logD: | 3.2097 |
| logSw: | -3.776 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.811 |
| InChI Key: | BASVVPNJDQEIKA-KRWDZBQOSA-N |