1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-cyclopentylethan-1-one
Chemical Structure Depiction of
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-cyclopentylethan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-cyclopentylethan-1-one
Compound characteristics
| Compound ID: | SA53-0260 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-cyclopentylethan-1-one |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C22 H31 N5 O |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(CC2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.884 |
| logD: | 2.8804 |
| logSw: | -3.1592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.98 |
| InChI Key: | DRFBVDNQTWVFOD-FQEVSTJZSA-N |