(2H-1,3-benzodioxol-5-yl)[4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
Compound characteristics
Compound ID: | V002-4173 |
Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone |
Molecular Weight: | 512.63 |
Molecular Formula: | C29 H28 N4 O3 S |
Salt: | not_available |
Smiles: | C1CCc2c(C1)c1c(nc(Cc3ccccc3)nc1s2)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 5.8985 |
logD: | 5.7764 |
logSw: | -6.2521 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.511 |
InChI Key: | VKISSSYUFCPRQL-UHFFFAOYSA-N |