[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](4-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](4-nitrophenyl)methanone
[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V002-5916 |
| Compound Name: | [4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](4-nitrophenyl)methanone |
| Molecular Weight: | 527.65 |
| Molecular Formula: | C29 H29 N5 O3 S |
| Salt: | not_available |
| Smiles: | C1CCc2c3c(nc(Cc4ccccc4)nc3sc2CC1)N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4817 |
| logD: | 6.3596 |
| logSw: | -6.1552 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.108 |
| InChI Key: | HTAGDVJAJVVIDO-UHFFFAOYSA-N |