N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
Chemical Structure Depiction of
N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V011-9061 |
| Compound Name: | N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C29 H33 N3 O4 |
| Smiles: | CCC1C(N(Cc2cccc(c2)OC)Cc2cc(ccc2O1)NC(Nc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5809 |
| logD: | 6.5809 |
| logSw: | -5.706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.622 |
| InChI Key: | UQRWYMYLBPMQQP-SANMLTNESA-N |