methyl 3-{[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
methyl 3-{[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J014-1265 |
| Compound Name: | methyl 3-{[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C23 H20 N2 O6 S |
| Smiles: | COC(c1cccc(c1)NC(C1CN(c2ccccc2O1)S(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7177 |
| logD: | 3.7176 |
| logSw: | -4.0486 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.656 |
| InChI Key: | KHJXTHOVYOXHBT-OAQYLSRUSA-N |