N-(2-chloro-4-methylphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
N-(2-chloro-4-methylphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F822-0498 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCCC1C(Nc1ccc(C)cc1[Cl])=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0216 |
| logD: | 3.017 |
| logSw: | -3.4273 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.788 |
| InChI Key: | UGNKHIAKRVYXIA-UHFFFAOYSA-N |