4-(prop-2-enoyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Chemical Structure Depiction of
4-(prop-2-enoyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
4-(prop-2-enoyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Compound characteristics
| Compound ID: | T001-0742 |
| Compound Name: | 4-(prop-2-enoyl)-N-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide |
| Molecular Weight: | 404.39 |
| Molecular Formula: | C21 H19 F3 N2 O3 |
| Smiles: | C=CC(N1CCOc2ccccc2C1C(NCc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4958 |
| logD: | 3.4958 |
| logSw: | -3.5423 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.573 |
| InChI Key: | WFMXVBNFGGTLGV-LJQANCHMSA-N |