N-[3-(butylsulfanyl)propyl]-1-methyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-1-methyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
N-[3-(butylsulfanyl)propyl]-1-methyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0316 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-1-methyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 465.63 |
| Molecular Formula: | C22 H31 N3 O4 S2 |
| Smiles: | CCCCSCCCNC(C1=CN(C)c2ccc(cc2C1=O)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3959 |
| logD: | 2.3959 |
| logSw: | -3.1484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.152 |
| InChI Key: | JDAGFBOKJWDOOD-UHFFFAOYSA-N |