7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
Chemical Structure Depiction of
7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
Compound characteristics
| Compound ID: | C367-0104 |
| Compound Name: | 7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C27 H28 N4 O2 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(C1=CC=CN2C1=Nc1c(C2=O)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4015 |
| logD: | 4.4015 |
| logSw: | -4.4965 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.455 |
| InChI Key: | KKFPXOPEUIBNOC-SFHVURJKSA-N |