3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | E511-0587 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 484.91 |
| Molecular Formula: | C20 H21 Cl N2 O8 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2092 |
| logD: | 1.1877 |
| logSw: | -2.7081 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.401 |
| InChI Key: | YFHOLCDPCMWXLX-UHFFFAOYSA-N |