N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-[4-(propan-2-yl)phenyl]urea
Chemical Structure Depiction of
N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-[4-(propan-2-yl)phenyl]urea
N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V010-4889 |
| Compound Name: | N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C31 H35 N3 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(Nc1ccc(cc1)C(C)C)=O)C1CCCc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.7432 |
| logD: | 7.7432 |
| logSw: | -5.6405 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.659 |
| InChI Key: | PVPWOSJQROCWCS-UHFFFAOYSA-N |