1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | F718-0579 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C24 H21 F N4 O3 S2 |
| Smiles: | [H]c1nc(c2c(c3c(cccc3s2)F)n1)SCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0582 |
| logD: | 3.9281 |
| logSw: | -4.4234 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.189 |
| InChI Key: | VVZLRLRQFWTFCM-UHFFFAOYSA-N |