N-{[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-{[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
N-{[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-0321 |
| Compound Name: | N-{[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide |
| Molecular Weight: | 529.66 |
| Molecular Formula: | C30 H31 N3 O4 S |
| Smiles: | CC(C)Oc1cccc(c1)c1cc(C(NC(NCCc2ccc(c(c2)OC)OC)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4949 |
| logD: | 5.4948 |
| logSw: | -5.6372 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.526 |
| InChI Key: | ATHZBUUDKLTUEI-UHFFFAOYSA-N |