N-[4-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Chemical Structure Depiction of
N-[4-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
N-[4-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Compound characteristics
| Compound ID: | S555-0998 |
| Compound Name: | N-[4-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea |
| Molecular Weight: | 331.46 |
| Molecular Formula: | C19 H29 N3 O2 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)CC2CCCCC2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8698 |
| logD: | 2.4791 |
| logSw: | -3.8355 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.63 |
| InChI Key: | KHRRPSMXHXLNAG-UHFFFAOYSA-N |