N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | E557-0338 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H23 N3 O7 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(NCc1ccc3c(c1)OCO3)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.735 |
| logD: | 1.735 |
| logSw: | -2.6984 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.732 |
| InChI Key: | IZPDSYHBMUOPGA-UHFFFAOYSA-N |