3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,5-dimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,5-dimethoxyphenyl)propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,5-dimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | E511-0546 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,5-dimethoxyphenyl)propanamide |
| Molecular Weight: | 454.88 |
| Molecular Formula: | C19 H19 Cl N2 O7 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9677 |
| logD: | 1.9462 |
| logSw: | -2.8445 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.51 |
| InChI Key: | BYGZEJBXHFUPKX-UHFFFAOYSA-N |