N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | V023-1598 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C25 H26 N2 O5 S |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(Cc1cccs1)=O)Cc1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4529 |
| logD: | 3.4528 |
| logSw: | -3.7305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.824 |
| InChI Key: | IOJQPPIAUSOMQB-MRXNPFEDSA-N |