methyl 2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2104 |
| Compound Name: | methyl 2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 559.71 |
| Molecular Formula: | C30 H29 N3 O4 S2 |
| Smiles: | CC(C)COc1cccc(c1)c1cc(C(NC(Nc2c(C(=O)OC)c3CCCc3s2)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.5679 |
| logD: | 5.3295 |
| logSw: | -6.0111 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.053 |
| InChI Key: | CVULTCVWUHMLOY-UHFFFAOYSA-N |