4-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)butanamide
4-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | V013-9630 |
| Compound Name: | 4-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 470.64 |
| Molecular Formula: | C28 H30 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccc(C)cc1)SCCCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2483 |
| logD: | 5.2483 |
| logSw: | -5.0347 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.026 |
| InChI Key: | ZABPNTRZMKXGKD-UHFFFAOYSA-N |