2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | E589-3827 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C22 H23 Cl F N3 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(Nc1ccc(cc1F)[Cl])=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6925 |
| logD: | 3.6765 |
| logSw: | -4.1652 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.562 |
| InChI Key: | BBCUWEKPOJJWDE-UHFFFAOYSA-N |