N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
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'-ethylurea
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Compound characteristics
| Compound ID: | V023-8836 |
| Compound Name: | N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C23 H29 N3 O5 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCc3ccc(c(c3)OC)OC)C(C(C)O2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6536 |
| logD: | 2.6536 |
| logSw: | -3.0729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.342 |
| InChI Key: | PUOMXNKOAPJASK-HNNXBMFYSA-N |