3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2670 |
| Compound Name: | 3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C27 H32 N2 O5 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1CCOc2ccc(CCC(N3CCOCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7478 |
| logD: | 2.7478 |
| logSw: | -3.0306 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.656 |
| InChI Key: | WMSMHKTXOMEXHN-UHFFFAOYSA-N |