N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
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)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0082 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C20 H20 N2 O7 S |
| Smiles: | Cc1cc2c(cc1S(CCC(NCc1ccc3c(c1)OCO3)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1825 |
| logD: | 1.1823 |
| logSw: | -2.2747 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.86 |
| InChI Key: | UOUMEVDTAOAXNQ-UHFFFAOYSA-N |