3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-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-(pyrrolidin-1-yl)propan-1-one
3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2353 |
| Compound Name: | 3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C27 H32 N2 O4 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6876 |
| logD: | 3.6876 |
| logSw: | -3.9184 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.113 |
| InChI Key: | IVMCQVQPGYDJRS-UHFFFAOYSA-N |