1-[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethan-1-one
Chemical Structure Depiction of
1-[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethan-1-one
1-[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | V002-7622 |
| Compound Name: | 1-[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethan-1-one |
| Molecular Weight: | 547.12 |
| Molecular Formula: | C30 H31 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CCc2c3c(nc(Cc4ccccc4)nc3sc2CC1)N1CCN(CC1)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9319 |
| logD: | 6.8098 |
| logSw: | -6.4684 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.698 |
| InChI Key: | VJIAYFJKDLQQQK-UHFFFAOYSA-N |