N,4-dibenzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N,4-dibenzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
N,4-dibenzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-0247 |
| Compound Name: | N,4-dibenzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C23 H28 N6 O |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(NCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5305 |
| logD: | 2.4172 |
| logSw: | -2.6479 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.092 |
| InChI Key: | PESGADFZIWSNRB-NRFANRHFSA-N |