methyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1479 |
| Compound Name: | methyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 536.07 |
| Molecular Formula: | C27 H22 Cl N3 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(NC(c1cc(c2ccc(cc2)[Cl])nc2ccccc12)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3336 |
| logD: | 5.1157 |
| logSw: | -6.3993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.188 |
| InChI Key: | FSTPNEZKRCQCHR-UHFFFAOYSA-N |