methyl 2-chloro-5-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
methyl 2-chloro-5-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J014-0179 |
| Compound Name: | methyl 2-chloro-5-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C18 H17 Cl N2 O6 S |
| Smiles: | COC(c1cc(ccc1[Cl])NC(C1CN(c2ccccc2O1)S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6837 |
| logD: | 2.6803 |
| logSw: | -3.6957 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.42 |
| InChI Key: | HMEIZSGYLMAYPT-INIZCTEOSA-N |