1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-methylphenyl)methyl]prolinamide
Chemical Structure Depiction of
1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-methylphenyl)methyl]prolinamide
1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-methylphenyl)methyl]prolinamide
Compound characteristics
| Compound ID: | F632-0462 |
| Compound Name: | 1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-methylphenyl)methyl]prolinamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCCC1C(NCc1ccc(C)cc1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2666 |
| logD: | 2.266 |
| logSw: | -2.9204 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.808 |
| InChI Key: | SHPOFQVNRDRWLX-UHFFFAOYSA-N |