6-hydroxy-1-(2-methylpropyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-2-one
Chemical Structure Depiction of
6-hydroxy-1-(2-methylpropyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-2-one
6-hydroxy-1-(2-methylpropyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-1059 |
| Compound Name: | 6-hydroxy-1-(2-methylpropyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-2-one |
| Molecular Weight: | 344.38 |
| Molecular Formula: | C17 H23 F3 N2 O2 |
| Smiles: | CC(C)CN1CC(CN(CC1=O)Cc1ccc(cc1)C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4389 |
| logD: | 2.1087 |
| logSw: | -2.5938 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.8 |
| InChI Key: | ZHUZHKFDHKYPQY-HNNXBMFYSA-N |