[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3,5-dimethoxyphenyl)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](3,5-dimethoxyphenyl)methanone
[4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3,5-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | V012-3598 |
| Compound Name: | [4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3,5-dimethoxyphenyl)methanone |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C31 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)C(N1CCN(CC1)c1c2c3CCCCCc3sc2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7557 |
| logD: | 6.6336 |
| logSw: | -5.745 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.814 |
| InChI Key: | NTFRUUIINRTSSQ-UHFFFAOYSA-N |