2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C700-0940 |
| Compound Name: | 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 522.6 |
| Molecular Formula: | C22 H26 N4 O7 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(NCCc1ccc(cc1)S(N)(=O)=O)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0428 |
| logD: | -0.0435 |
| logSw: | -2.3911 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.061 |
| InChI Key: | XMIFMQDFNLRRNI-UHFFFAOYSA-N |