7-[4-(5-chloro-2-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-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
7-[4-(5-chloro-2-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: | C367-0105 |
| Compound Name: | 7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C26 H25 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(C1=CC=CN2C1=Nc1c(C2=O)c2CCCCc2s1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8042 |
| logD: | 4.8042 |
| logSw: | -5.0348 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.936 |
| InChI Key: | QPJRDNAMKQNFDI-UHFFFAOYSA-N |