[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethoxyphenyl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | SA53-0232 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(c2ccc(cc2OC)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5874 |
| logD: | 2.5863 |
| logSw: | -3.2017 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.123 |
| InChI Key: | QJXSNRPYZBJHTG-NRFANRHFSA-N |