N-{4-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
N-{4-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Compound characteristics
| Compound ID: | S555-0975 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)Cc2cccc(c2OC)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1578 |
| logD: | 0.9052 |
| logSw: | -3.2859 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.785 |
| InChI Key: | XIKNVXXHGIJFFG-UHFFFAOYSA-N |