methyl 3-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]thiophene-2-carboxylate
methyl 3-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1368 |
| Compound Name: | methyl 3-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C16 H16 N2 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCc2ccccc2C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7924 |
| logD: | 3.7922 |
| logSw: | -3.8769 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.293 |
| InChI Key: | JOWBYYZMLCKTJP-UHFFFAOYSA-N |