(2H-1,3-benzodioxol-5-yl)(4-{5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(4-{5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)methanone
(2H-1,3-benzodioxol-5-yl)(4-{5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V013-7820 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(4-{5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C27 H30 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(CC2)C(c2ccc3c(c2)OCO3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1015 |
| logD: | 4.7443 |
| logSw: | -5.0008 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.685 |
| InChI Key: | DNQPLWFOMYBAHF-UHFFFAOYSA-N |