1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)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-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SA53-0284 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 407.52 |
| Molecular Formula: | C22 H29 N7 O |
| Smiles: | Cc1cc(C)n(CC(N2CCCN(Cc3ccccc3)C(C2)c2nc(C)n[nH]2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9845 |
| logD: | 0.9821 |
| logSw: | -1.959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.429 |
| InChI Key: | CDTPSPDZXJTXTD-FQEVSTJZSA-N |