ethyl 3-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 3-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamido]benzoate
ethyl 3-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E511-0305 |
| Compound Name: | ethyl 3-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C20 H20 N2 O7 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCS(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8217 |
| logD: | 1.8217 |
| logSw: | -2.5408 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.176 |
| InChI Key: | KPCXLSNNHBJHOG-UHFFFAOYSA-N |