N-{4-[(3-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{4-[(3-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
N-{4-[(3-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V018-6821 |
| Compound Name: | N-{4-[(3-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C23 H22 N2 O4 S |
| Smiles: | CC1C(N(Cc2cccc(c2)OC)Cc2cc(ccc2O1)NC(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8506 |
| logD: | 3.8505 |
| logSw: | -4.1159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.234 |
| InChI Key: | XNYAVGJZIKWQNH-OAHLLOKOSA-N |