N-(3,4-dimethylphenyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
N-(3,4-dimethylphenyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-1044 |
| Compound Name: | N-(3,4-dimethylphenyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C23 H27 N7 O2 |
| Smiles: | Cc1ccc(cc1C)NC(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2118 |
| logD: | 2.2088 |
| logSw: | -2.5112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.948 |
| InChI Key: | FARBYYFEBFVNQG-FQEVSTJZSA-N |