1-butyl-3-(3,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(morpholin-4-yl)quinolin-4(1H)-one
Chemical Structure Depiction of
1-butyl-3-(3,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(morpholin-4-yl)quinolin-4(1H)-one
1-butyl-3-(3,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(morpholin-4-yl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0647 |
| Compound Name: | 1-butyl-3-(3,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(morpholin-4-yl)quinolin-4(1H)-one |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C25 H29 F N2 O4 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CCOCC1)F)=O)S(c1cc(C)cc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1338 |
| logD: | 4.1338 |
| logSw: | -4.1342 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.373 |
| InChI Key: | TTXVBXCPOJSBEL-UHFFFAOYSA-N |