3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | E511-0340 |
| Compound Name: | 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C20 H22 N2 O8 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCS(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4203 |
| logD: | 0.4168 |
| logSw: | -2.2692 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.401 |
| InChI Key: | WFRAYJXJCFLYDH-UHFFFAOYSA-N |