(2H-1,3-benzodioxol-5-yl)[4-(2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V021-8274 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(2-cyclopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Salt: | not_available |
| Smiles: | C1CCc2c(C1)c1c(nc(C3CC3)nc1s2)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1624 |
| logD: | 3.4375 |
| logSw: | -5.6647 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.044 |
| InChI Key: | ROQOVZPUWDQVJQ-UHFFFAOYSA-N |