1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(2-methylphenyl)methyl]prolinamide
Chemical Structure Depiction of
1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(2-methylphenyl)methyl]prolinamide
1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(2-methylphenyl)methyl]prolinamide
Compound characteristics
| Compound ID: | F632-0639 |
| Compound Name: | 1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(2-methylphenyl)methyl]prolinamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCCC1C(NCc1ccccc1C)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7312 |
| logD: | 2.7305 |
| logSw: | -3.2726 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.808 |
| InChI Key: | ASRHGQUMQGERDB-UHFFFAOYSA-N |