ethyl 5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-methyl-2-{[(methylsulfanyl)carbonothioyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-methyl-2-{[(methylsulfanyl)carbonothioyl]amino}thiophene-3-carboxylate
ethyl 5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-methyl-2-{[(methylsulfanyl)carbonothioyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K285-0064 |
| Compound Name: | ethyl 5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-methyl-2-{[(methylsulfanyl)carbonothioyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 434.6 |
| Molecular Formula: | C20 H22 N2 O3 S3 |
| Smiles: | CCOC(c1c(C)c(C(N2CCc3ccccc3C2)=O)sc1NC(=S)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3381 |
| logD: | 0.8931 |
| logSw: | -4.1524 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.403 |
| InChI Key: | DWHBBSJHCOQGDH-UHFFFAOYSA-N |