{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(2-chloro-4-nitrophenyl)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}(2-chloro-4-nitrophenyl)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}(2-chloro-4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V007-6543 |
| 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}(2-chloro-4-nitrophenyl)methanone |
| Molecular Weight: | 528.07 |
| Molecular Formula: | C26 H30 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.889 |
| logD: | 6.3134 |
| logSw: | -6.4339 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.389 |
| InChI Key: | PTPWAWAIYPVXJC-INIZCTEOSA-N |