2-{[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate
Chemical Structure Depiction of
2-{[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate
2-{[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate
Compound characteristics
| Compound ID: | V003-5633 |
| Compound Name: | 2-{[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C30 H30 N2 O5 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccccc1OC(C)=O)=O)C1CCCc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.288 |
| logD: | 5.2871 |
| logSw: | -5.2171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.285 |
| InChI Key: | BMSVBCNRUUPJTC-UHFFFAOYSA-N |