N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1302 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C21 H22 N2 O7 S |
| Smiles: | CC(CC(NCc1ccc2c(c1)OCO2)=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4321 |
| logD: | 1.432 |
| logSw: | -2.4702 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.596 |
| InChI Key: | NBOQOTSPXPIVRF-ZDUSSCGKSA-N |