3,4-dichloro-N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Chemical Structure Depiction of
3,4-dichloro-N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
3,4-dichloro-N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Compound characteristics
| Compound ID: | V003-3734 |
| Compound Name: | 3,4-dichloro-N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide |
| Molecular Weight: | 529.42 |
| Molecular Formula: | C27 H26 Cl2 N2 O5 |
| Smiles: | CC1C(N(CCc2ccc(c(c2)OC)OC)Cc2cc(ccc2O1)NC(c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9653 |
| logD: | 4.9536 |
| logSw: | -5.1749 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.911 |
| InChI Key: | XKXVZOSXYMCORL-MRXNPFEDSA-N |