(2H-1,3-benzodioxol-5-yl){4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V006-5803 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | CCc1c(C)nc(c2cccc(C)c2)nc1N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5383 |
| logD: | 5.3341 |
| logSw: | -5.4532 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.072 |
| InChI Key: | YZTQSNCOGWGTPP-UHFFFAOYSA-N |