N-[4-(2-methylpropyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[4-(2-methylpropyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide
N-[4-(2-methylpropyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V026-3975 |
| Compound Name: | N-[4-(2-methylpropyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | CC(C)CN1Cc2cc(ccc2OCC1=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8954 |
| logD: | 2.8954 |
| logSw: | -3.4226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.958 |
| InChI Key: | XPEBZPOPSYRQFV-UHFFFAOYSA-N |