methyl 4-{[4-(4-methoxybenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(4-methoxybenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
methyl 4-{[4-(4-methoxybenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J014-2379 |
| Compound Name: | methyl 4-{[4-(4-methoxybenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C24 H22 N2 O7 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CN(c2ccccc2O1)S(c1ccc(cc1)OC)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7045 |
| logD: | 3.7038 |
| logSw: | -4.1177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.2 |
| InChI Key: | SSHUOPFFVJPSND-JOCHJYFZSA-N |