methyl 2-({2-[4-(propan-2-yl)phenyl]quinoline-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[4-(propan-2-yl)phenyl]quinoline-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({2-[4-(propan-2-yl)phenyl]quinoline-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3360-8950 |
| Compound Name: | methyl 2-({2-[4-(propan-2-yl)phenyl]quinoline-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C29 H28 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)c1cc(C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.63 |
| logD: | 5.6907 |
| logSw: | -5.9172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.278 |
| InChI Key: | YKXNTFYASMOXNN-UHFFFAOYSA-N |