6-(3-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-oxopropane-1-sulfonyl)-3,4-dihydroquinolin-2(1H)-one
Chemical Structure Depiction of
6-(3-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-oxopropane-1-sulfonyl)-3,4-dihydroquinolin-2(1H)-one
6-(3-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-oxopropane-1-sulfonyl)-3,4-dihydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T501-1374 |
| Compound Name: | 6-(3-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-oxopropane-1-sulfonyl)-3,4-dihydroquinolin-2(1H)-one |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C27 H31 N5 O4 S |
| Smiles: | C1CC(Cc2nncn2Cc2ccccc2)CN(C1)C(CCS(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4116 |
| logD: | 1.4111 |
| logSw: | -2.5526 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.211 |
| InChI Key: | VHXCUIVXBZARIE-OAQYLSRUSA-N |