N-(3-acetylphenyl)-2-{[5-(4,5-dimethylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[5-(4,5-dimethylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[5-(4,5-dimethylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-5271 |
| Compound Name: | N-(3-acetylphenyl)-2-{[5-(4,5-dimethylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C21 H24 N4 O2 S2 |
| Smiles: | CC(C)n1c(c2csc(C)c2C)nnc1SCC(Nc1cccc(c1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1017 |
| logD: | 4.1013 |
| logSw: | -4.2277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.311 |
| InChI Key: | XMPPYJYOBDJFQC-UHFFFAOYSA-N |