3-{4-[(propan-2-yl)carbamoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanoic acid
Chemical Structure Depiction of
3-{4-[(propan-2-yl)carbamoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanoic acid
3-{4-[(propan-2-yl)carbamoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanoic acid
Compound characteristics
| Compound ID: | S629-0004 |
| Compound Name: | 3-{4-[(propan-2-yl)carbamoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanoic acid |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C16 H22 N2 O4 |
| Smiles: | CC(C)NC(N1CCOc2ccc(CCC(O)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1043 |
| logD: | -0.6966 |
| logSw: | -2.7431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.604 |
| InChI Key: | LZWMRXPXBPNZHS-UHFFFAOYSA-N |