N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-2108 |
| Compound Name: | N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide |
| Molecular Weight: | 526.68 |
| Molecular Formula: | C29 H26 N4 O2 S2 |
| Smiles: | CC(C)COc1cccc(c1)c1cc(C(NC(Nc2c(C#N)c3CCCc3s2)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.4878 |
| logD: | 6.2558 |
| logSw: | -5.9693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.935 |
| InChI Key: | GQBHURNMQSUZIS-UHFFFAOYSA-N |