[4-(2-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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: | V012-5034 |
| Compound Name: | [4-(2-cyclohexyl-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: | 533.69 |
| Molecular Formula: | C29 H35 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1c2c3CCCCCc3sc2nc(C2CCCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2866 |
| logD: | 6.62 |
| logSw: | -5.7058 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.009 |
| InChI Key: | GUBDOJRSVKJJLB-UHFFFAOYSA-N |