methyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamido]benzoate
methyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamido]benzoate
Compound characteristics
| Compound ID: | E667-1407 |
| Compound Name: | methyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamido]benzoate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C21 H22 N2 O7 S |
| Smiles: | CC(CC(Nc1ccc(cc1)C(=O)OC)=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9941 |
| logD: | 1.9927 |
| logSw: | -2.7275 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.333 |
| InChI Key: | TWYBARDGVAGYPI-ZDUSSCGKSA-N |