2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V010-5661 |
| Compound Name: | 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide |
| Molecular Weight: | 414.59 |
| Molecular Formula: | C21 H26 N4 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)N(C(C)C)C(CSc1nnc(c2cccs2)n1c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.783 |
| logD: | 4.7822 |
| logSw: | -4.5837 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.553 |
| InChI Key: | VMQRLFPIFHYDJL-UHFFFAOYSA-N |