N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-chloro-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-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0575 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamide |
| Molecular Weight: | 452.87 |
| Molecular Formula: | C19 H17 Cl N2 O7 S |
| Smiles: | C(CS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.442 |
| logD: | 1.4205 |
| logSw: | -2.7425 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.86 |
| InChI Key: | CZEXDFSUMFLEEX-UHFFFAOYSA-N |