(2H-1,3-benzodioxol-5-yl)(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)methanone
(2H-1,3-benzodioxol-5-yl)(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V008-3392 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C31 H30 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(Cc2c(C)nc(c3ccccc3)nc2N2CCN(CC2)C(c2ccc3c(c2)OCO3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7516 |
| logD: | 6.6765 |
| logSw: | -5.8088 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.8 |
| InChI Key: | VDKWXKVJTPWGFC-UHFFFAOYSA-N |