3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,5-diethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,5-diethoxyphenyl)propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,5-diethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | E511-0670 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,5-diethoxyphenyl)propanamide |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C21 H23 Cl N2 O7 S |
| Smiles: | CCOc1ccc(c(c1)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.321 |
| logD: | 2.2996 |
| logSw: | -3.186 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.059 |
| InChI Key: | LQWQDPGVUHLXLM-UHFFFAOYSA-N |