N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | V014-5680 |
| Compound Name: | N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 490.51 |
| Molecular Formula: | C27 H26 N2 O7 |
| Smiles: | CC1C(N(Cc2ccc3c(c2)OCO3)Cc2cc(ccc2O1)NC(c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0192 |
| logD: | 4.0192 |
| logSw: | -4.2395 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.875 |
| InChI Key: | ZCETZEHCCJTTBQ-INIZCTEOSA-N |