N-(cyclopropylmethyl)-3-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-3-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-(cyclopropylmethyl)-3-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1969 |
| Compound Name: | N-(cyclopropylmethyl)-3-[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | Cc1cccc(c1)C(N1CCOc2ccc(CCC(NCC3CC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2558 |
| logD: | 3.2558 |
| logSw: | -3.2461 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.554 |
| InChI Key: | XJPCQAUQCFNGJF-UHFFFAOYSA-N |