[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3,4-dichlorophenyl)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](3,4-dichlorophenyl)methanone
[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3,4-dichlorophenyl)methanone
Compound characteristics
| Compound ID: | V012-8385 |
| Compound Name: | [4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3,4-dichlorophenyl)methanone |
| Molecular Weight: | 551.54 |
| Molecular Formula: | C29 H28 Cl2 N4 O S |
| Salt: | not_available |
| Smiles: | C1CCc2c3c(nc(Cc4ccccc4)nc3sc2CC1)N1CCN(CC1)C(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.756 |
| logD: | 7.6339 |
| logSw: | -6.7677 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.727 |
| InChI Key: | RUQGPVBPYAHJSJ-UHFFFAOYSA-N |