ethyl 2-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
ethyl 2-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J098-0072 |
| Compound Name: | ethyl 2-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CCOC(c1ccccc1NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8658 |
| logD: | 2.8156 |
| logSw: | -3.741 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.7 |
| InChI Key: | POACSXAACIYLOO-GOSISDBHSA-N |