N-benzyl-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
N-benzyl-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-0558 |
| Compound Name: | N-benzyl-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C20 H28 N6 O2 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5271 |
| logD: | 1.5265 |
| logSw: | -1.7802 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.114 |
| InChI Key: | OWMVIMLHDXZFNU-KRWDZBQOSA-N |