N-(2-chloro-4-methylphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
N-(2-chloro-4-methylphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F633-0498 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C22 H24 Cl N3 O5 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCC(CC1)C(Nc1ccc(C)cc1[Cl])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1715 |
| logD: | 3.1706 |
| logSw: | -3.3857 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.951 |
| InChI Key: | KLNNFQQCPIYEJS-CQSZACIVSA-N |