2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-9-methyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-9-methyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-9-methyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C243-0377 |
| Compound Name: | 2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-9-methyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Smiles: | CC1=CC=CN2C1=Nc1c(cc(C(N3CCc4ccccc4C3)=O)s1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.4775 |
| logD: | 3.4775 |
| logSw: | -3.6314 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.718 |
| InChI Key: | KSACVDLJKBFSQY-UHFFFAOYSA-N |