ethyl 2-({2-[4-(propan-2-yl)phenyl]quinoline-4-carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({2-[4-(propan-2-yl)phenyl]quinoline-4-carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
ethyl 2-({2-[4-(propan-2-yl)phenyl]quinoline-4-carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0009 |
| Compound Name: | ethyl 2-({2-[4-(propan-2-yl)phenyl]quinoline-4-carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate |
| Molecular Weight: | 582.81 |
| Molecular Formula: | C36 H42 N2 O3 S |
| Smiles: | CCOC(c1c2CCCCCCCCCCc2sc1NC(c1cc(c2ccc(cc2)C(C)C)nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 10.9878 |
| logD: | 9.0485 |
| logSw: | -5.9495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.188 |
| InChI Key: | UFZGZVQNENLIAR-UHFFFAOYSA-N |