N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V018-0448 |
| Compound Name: | N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C27 H24 N2 O7 |
| Smiles: | CCC1C(N(Cc2ccc3c(c2)OCO3)Cc2cc(ccc2O1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3304 |
| logD: | 4.3304 |
| logSw: | -4.3106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.097 |
| InChI Key: | PAYKDHLJDVPOAW-FQEVSTJZSA-N |