1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(3-chlorophenyl)ethan-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-(3-chlorophenyl)ethan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(3-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SA53-0240 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(3-chlorophenyl)ethan-1-one |
| Molecular Weight: | 423.94 |
| Molecular Formula: | C23 H26 Cl N5 O |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(Cc2cccc(c2)[Cl])=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5167 |
| logD: | 3.5127 |
| logSw: | -3.7509 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.422 |
| InChI Key: | AJKDDNKJVYOMNP-NRFANRHFSA-N |