benzyl {4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
Chemical Structure Depiction of
benzyl {4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
benzyl {4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
Compound characteristics
| Compound ID: | V028-8318 |
| Compound Name: | benzyl {4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C27 H28 N2 O6 |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(=O)OCc1ccccc1)Cc1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.779 |
| logD: | 4.779 |
| logSw: | -4.8286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.476 |
| InChI Key: | BNHGPUIUQGBZON-SFHVURJKSA-N |