N-[(cyclohex-3-en-1-yl)methyl]-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(cyclohex-3-en-1-yl)methyl]-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
N-[(cyclohex-3-en-1-yl)methyl]-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0246 |
| Compound Name: | N-[(cyclohex-3-en-1-yl)methyl]-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C27 H35 N3 O5 S |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N1CCCC1)(=O)=O)=O)C(N(CC1CCC=CC1)CC1CCCO1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6868 |
| logD: | 2.6868 |
| logSw: | -3.3686 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.412 |
| InChI Key: | YXFABFPNLSBXKA-UHFFFAOYSA-N |