[4-(2-benzyl-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-benzyl-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-benzyl-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: | V012-3607 |
| 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-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C30 H31 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1c2c3CCCCCc3sc2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8201 |
| logD: | 6.698 |
| logSw: | -5.7296 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.807 |
| InChI Key: | LPKUJHWEWAZCLX-UHFFFAOYSA-N |