[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
[4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V008-9986 |
| Compound Name: | [4-anilino-2-(2H-1,3-benzodioxol-5-yl)pyrimidin-5-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C30 H29 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(c2cnc(c3ccc4c(c3)OCO4)nc2Nc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9207 |
| logD: | 4.8283 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.916 |
| InChI Key: | HYGLQPCXNOPVFL-UHFFFAOYSA-N |