{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3,4-dichlorophenyl)methanone
Chemical Structure Depiction of
{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3,4-dichlorophenyl)methanone
{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3,4-dichlorophenyl)methanone
Compound characteristics
| Compound ID: | V030-8989 |
| Compound Name: | {4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3,4-dichlorophenyl)methanone |
| Molecular Weight: | 517.52 |
| Molecular Formula: | C26 H30 Cl2 N4 O S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6543 |
| logD: | 7.0787 |
| logSw: | -6.6584 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.007 |
| InChI Key: | JMJBLZWGRZDSEY-INIZCTEOSA-N |