1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-phenylpropyl)prolinamide
Chemical Structure Depiction of
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-phenylpropyl)prolinamide
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-phenylpropyl)prolinamide
Compound characteristics
| Compound ID: | F632-1327 |
| Compound Name: | 1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-phenylpropyl)prolinamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C22 H24 Cl N3 O5 S |
| Smiles: | CC(CNC(C1CCCN1S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7815 |
| logD: | 2.7229 |
| logSw: | -3.5507 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.47 |
| InChI Key: | JKBVEXQOQAUUOI-UHFFFAOYSA-N |