N-cyclopropyl-3-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-cyclopropyl-3-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-cyclopropyl-3-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1650 |
| Compound Name: | N-cyclopropyl-3-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | CC(C)CC(N1CCOc2ccc(CCC(NC3CC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7982 |
| logD: | 2.7982 |
| logSw: | -3.2798 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.831 |
| InChI Key: | NTADATXKPMCKFI-UHFFFAOYSA-N |