N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Chemical Structure Depiction of
N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | T501-1379 |
| Compound Name: | N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C27 H32 N6 O4 S |
| Smiles: | CN(CC(N1CCCC(Cc2nncn2Cc2ccccc2)C1)=O)S(c1ccc2c(CCC(N2)=O)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6156 |
| logD: | 1.6142 |
| logSw: | -2.7222 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.01 |
| InChI Key: | YTTORNLZHXMCED-OAQYLSRUSA-N |