3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8017-8362 |
| Compound Name: | 3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 405.27 |
| Molecular Formula: | C17 H13 Br N2 O3 S |
| Smiles: | C1Cc2c3C(N(Cc4cc5c(cc4[Br])OCO5)C=Nc3sc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7468 |
| logD: | 3.7468 |
| logSw: | -4.2315 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.643 |
| InChI Key: | SYHPHQQASXLHNI-UHFFFAOYSA-N |