N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V015-8616 |
| Compound Name: | N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C26 H24 N2 O6 |
| Smiles: | CC1C(N(Cc2ccccc2OC)Cc2cc(ccc2O1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0429 |
| logD: | 4.0429 |
| logSw: | -4.2609 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.418 |
| InChI Key: | DTJRHAHCDRNANB-INIZCTEOSA-N |