[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V012-3500 |
| Compound Name: | [4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C29 H27 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1ccccc1N1CCN(CC1)C(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.817 |
| logD: | 4.7246 |
| logSw: | -4.4281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.965 |
| InChI Key: | VEXPIZJOIUVMNY-UHFFFAOYSA-N |