N-{4-[(2-cyanophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Chemical Structure Depiction of
N-{4-[(2-cyanophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
N-{4-[(2-cyanophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Compound characteristics
| Compound ID: | S555-0981 |
| Compound Name: | N-{4-[(2-cyanophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)Cc2ccccc2C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9514 |
| logD: | 2.7173 |
| logSw: | -3.4896 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.494 |
| InChI Key: | GGTRVYHCZIJXEI-UHFFFAOYSA-N |