3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K292-2091 |
| Compound Name: | 3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C23 H19 N3 O2 S2 |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc(CN2C(c3c(ccs3)NC2=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9223 |
| logD: | 3.9221 |
| logSw: | -4.0721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.646 |
| InChI Key: | AZMJRCBRZVUNDK-UHFFFAOYSA-N |