N-[3-(cyclohexylsulfanyl)propyl]-1-methyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-1-methyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-1-methyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0317 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-1-methyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 491.67 |
| Molecular Formula: | C24 H33 N3 O4 S2 |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N1CCCC1)(=O)=O)=O)C(NCCCSC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9471 |
| logD: | 2.9471 |
| logSw: | -3.6973 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.073 |
| InChI Key: | MWTOCQHYYIEELB-UHFFFAOYSA-N |