{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-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}(4-methyl-3-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}(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V030-8943 |
| 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}(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C27 H33 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7184 |
| logD: | 6.1428 |
| logSw: | -5.7035 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.088 |
| InChI Key: | XZKARMIKJXLYJL-KRWDZBQOSA-N |