4-(2H-1,3-benzodioxol-5-yl)-2-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}pyrimidine
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}pyrimidine
4-(2H-1,3-benzodioxol-5-yl)-2-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}pyrimidine
Compound characteristics
| Compound ID: | V020-5903 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}pyrimidine |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCN(CC1)c1nccc(c2ccc3c(c2)OCO3)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2133 |
| logD: | 5.2112 |
| logSw: | -5.2197 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.984 |
| InChI Key: | WWJOREXXQMDRSS-UHFFFAOYSA-N |