N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-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-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V013-9632 |
| Compound Name: | N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 517.63 |
| Molecular Formula: | C30 H35 N3 O5 |
| Smiles: | CC(C)c1ccc(cc1)NC(Nc1ccc2c(CN(CCc3ccc(c(c3)OC)OC)C(C(C)O2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.67 |
| logD: | 5.67 |
| logSw: | -5.4705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.123 |
| InChI Key: | BYKZSHVKROOKOA-FQEVSTJZSA-N |