methyl 3-{[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4-chlorobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4-chlorobenzoate
methyl 3-{[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4-chlorobenzoate
Compound characteristics
| Compound ID: | J014-1238 |
| Compound Name: | methyl 3-{[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4-chlorobenzoate |
| Molecular Weight: | 486.93 |
| Molecular Formula: | C23 H19 Cl N2 O6 S |
| Smiles: | COC(c1ccc(c(c1)NC(C1CN(c2ccccc2O1)S(c1ccccc1)(=O)=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1979 |
| logD: | 4.1938 |
| logSw: | -4.495 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.959 |
| InChI Key: | NTVZSAJONXWTQK-NRFANRHFSA-N |