{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}{2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methanone
Chemical Structure Depiction of
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}{2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methanone
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}{2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methanone
Compound characteristics
| Compound ID: | V001-4670 |
| Compound Name: | {4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}{2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methanone |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C28 H25 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)Sc1c(cccn1)C(N1CCN(CC1)c1nccc(c2ccc3c(c2)OCO3)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3162 |
| logD: | 5.3155 |
| logSw: | -5.2575 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.829 |
| InChI Key: | RPMVFOROBIRING-UHFFFAOYSA-N |