N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V017-8668 |
| Compound Name: | N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide |
| Molecular Weight: | 424.49 |
| Molecular Formula: | C23 H21 F N2 O3 S |
| Smiles: | CCC1C(N(Cc2ccc(cc2)F)Cc2cc(ccc2O1)NC(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4785 |
| logD: | 4.4784 |
| logSw: | -4.3383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.885 |
| InChI Key: | SGJMUPFYJLJFJC-IBGZPJMESA-N |