1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[(4-methylphenyl)methyl]prolinamide
Chemical Structure Depiction of
1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[(4-methylphenyl)methyl]prolinamide
1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[(4-methylphenyl)methyl]prolinamide
Compound characteristics
| Compound ID: | F822-0462 |
| Compound Name: | 1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[(4-methylphenyl)methyl]prolinamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCCC1C(NCc1ccc(C)cc1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0232 |
| logD: | 2.0229 |
| logSw: | -2.8308 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.808 |
| InChI Key: | QVCDEVZYXMJKNC-UHFFFAOYSA-N |