6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4(3H)-one
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | A0016909 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 596.73 |
| Molecular Formula: | C32 H28 N4 O4 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(N1CCc2ccccc2C1)=O)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4226 |
| logD: | 6.4226 |
| logSw: | -5.7237 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.343 |
| InChI Key: | RGXNFGVHYVGCGG-UHFFFAOYSA-N |