N-(3-chlorophenyl)-N'-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Chemical Structure Depiction of
N-(3-chlorophenyl)-N'-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
N-(3-chlorophenyl)-N'-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Compound characteristics
| Compound ID: | V014-8781 |
| Compound Name: | N-(3-chlorophenyl)-N'-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea |
| Molecular Weight: | 524.02 |
| Molecular Formula: | C28 H30 Cl N3 O5 |
| Smiles: | CCC1C(N(CCc2ccc(c(c2)OC)OC)Cc2cc(ccc2O1)NC(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7396 |
| logD: | 5.7396 |
| logSw: | -5.8279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.317 |
| InChI Key: | MVRBBVDIUUTQQM-HSZRJFAPSA-N |