N-[(cyclohex-3-en-1-yl)methyl]-1-methyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(cyclohex-3-en-1-yl)methyl]-1-methyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
N-[(cyclohex-3-en-1-yl)methyl]-1-methyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0768 |
| Compound Name: | N-[(cyclohex-3-en-1-yl)methyl]-1-methyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 541.71 |
| Molecular Formula: | C29 H39 N3 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)C(C(=CN2C)C(N(CC1CCC=CC1)CC1CCCO1)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4914 |
| logD: | 3.4914 |
| logSw: | -3.9453 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.046 |
| InChI Key: | DCJBUWBBICOKSC-UHFFFAOYSA-N |