[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2-ethoxyphenyl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2-ethoxyphenyl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2-ethoxyphenyl)methanone
Compound characteristics
| Compound ID: | SA53-0211 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2-ethoxyphenyl)methanone |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C24 H29 N5 O2 |
| Smiles: | CCOc1ccccc1C(N1CCCN(Cc2ccccc2)C(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8417 |
| logD: | 2.8406 |
| logSw: | -3.3372 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.159 |
| InChI Key: | MLIYXRKRCKTTEU-NRFANRHFSA-N |