methyl 2-{[(2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{[(2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8014-8372 |
| Compound Name: | methyl 2-{[(2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 587.76 |
| Molecular Formula: | C32 H33 N3 O4 S2 |
| Smiles: | CC(C)Oc1cccc(c1)c1cc(C(NC(Nc2c(C(=O)OC)c3CCCCCCc3s2)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 8.302 |
| logD: | 6.0841 |
| logSw: | -5.9617 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.321 |
| InChI Key: | SZDYYUPWYXARLC-UHFFFAOYSA-N |