4-benzyl-N-[(furan-2-yl)methyl]-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-benzyl-N-[(furan-2-yl)methyl]-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
4-benzyl-N-[(furan-2-yl)methyl]-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-0298 |
| Compound Name: | 4-benzyl-N-[(furan-2-yl)methyl]-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(NCc2ccco2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2812 |
| logD: | 2.1678 |
| logSw: | -2.6496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.841 |
| InChI Key: | KUVRFQWRJUGPJA-IBGZPJMESA-N |