2-(benzyloxy)-1-[4-(2-butyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-[4-(2-butyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethan-1-one
2-(benzyloxy)-1-[4-(2-butyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
Compound ID: | V002-5862 |
Compound Name: | 2-(benzyloxy)-1-[4-(2-butyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethan-1-one |
Molecular Weight: | 492.68 |
Molecular Formula: | C28 H36 N4 O2 S |
Salt: | not_available |
Smiles: | CCCCc1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(COCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 6.2821 |
logD: | 5.6703 |
logSw: | -5.6106 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.905 |
InChI Key: | YDJCPLAJGZWTMZ-UHFFFAOYSA-N |