methyl 2-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4,5-dimethoxybenzoate
methyl 2-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | J014-0200 |
| Compound Name: | methyl 2-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4,5-dimethoxybenzoate |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C20 H22 N2 O8 S |
| Smiles: | COC(c1cc(c(cc1NC(C1CN(c2ccccc2O1)S(C)(=O)=O)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6935 |
| logD: | 0.8872 |
| logSw: | -2.7676 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.983 |
| InChI Key: | NYQFVUOCLBTASQ-GOSISDBHSA-N |