N-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1482 |
| Compound Name: | N-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | Cc1cccc(c1)C(N1CCOc2ccc(cc2C1)NC(C1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0892 |
| logD: | 3.0892 |
| logSw: | -3.1806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.445 |
| InChI Key: | AQDVINAXCSWZMD-UHFFFAOYSA-N |