4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine
Compound characteristics
| Compound ID: | V009-5425 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C20 H18 N2 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nc(C)cc(n2)Oc2ccc3c(c2)OCO3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5871 |
| logD: | 4.5871 |
| logSw: | -4.5213 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.83 |
| InChI Key: | HHFPXNHMLARXRQ-UHFFFAOYSA-N |