methyl 2-{[(2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carbonyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carbonyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{[(2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carbonyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0305 |
| Compound Name: | methyl 2-{[(2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carbonyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C29 H27 N3 O4 S2 |
| Smiles: | CC(C)Oc1cccc(c1)c1cc(C(NC(Nc2c(C(=O)OC)c3CCCc3s2)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8999 |
| logD: | 4.6615 |
| logSw: | -5.9816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.356 |
| InChI Key: | OMXFYOBYUJJPPV-UHFFFAOYSA-N |