2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Compound characteristics
| Compound ID: | 8015-5161 |
| Compound Name: | 2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C27 H25 N7 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nnc(c2ccncc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2941 |
| logD: | 2.2572 |
| logSw: | -2.4718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.928 |
| InChI Key: | BRWDXTRRPQOMEC-UHFFFAOYSA-N |