[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethylphenyl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethylphenyl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | SA53-0231 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethylphenyl)methanone |
| Molecular Weight: | 403.53 |
| Molecular Formula: | C24 H29 N5 O |
| Smiles: | Cc1ccc(C(N2CCCN(Cc3ccccc3)C(C2)c2nc(C)n[nH]2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5297 |
| logD: | 3.5286 |
| logSw: | -3.6018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.949 |
| InChI Key: | LMPPJZOWVKQUKS-QFIPXVFZSA-N |