[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V012-8833 |
| Compound Name: | [4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 497.53 |
| Molecular Formula: | C28 H24 F N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1ccccc1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.9948 |
| logD: | 4.9024 |
| logSw: | -4.726 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.335 |
| InChI Key: | NQPZICZWNJACTQ-UHFFFAOYSA-N |