N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide
N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V013-4120 |
| Compound Name: | N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide |
| Molecular Weight: | 460.47 |
| Molecular Formula: | C23 H19 F3 N2 O3 S |
| Smiles: | CC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.552 |
| logD: | 4.5519 |
| logSw: | -4.4928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.69 |
| InChI Key: | FONZQYNHWBSJQV-CQSZACIVSA-N |