N-(cyclopropylmethyl)-3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N-(cyclopropylmethyl)-3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-2034 |
| Compound Name: | N-(cyclopropylmethyl)-3-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C27 H32 N2 O4 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1CCOc2ccc(CCC(NCC3CC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5493 |
| logD: | 3.5493 |
| logSw: | -3.6598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.349 |
| InChI Key: | ITMOSKVCQACTHG-UHFFFAOYSA-N |