N-(2-methylpropyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
N-(2-methylpropyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-1145 |
| Compound Name: | N-(2-methylpropyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 385.47 |
| Molecular Formula: | C19 H27 N7 O2 |
| Smiles: | CC(C)CNC(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6313 |
| logD: | 0.6282 |
| logSw: | -1.0796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.542 |
| InChI Key: | LDYKEQFFJPBHCO-INIZCTEOSA-N |