2,4-dimethyl-6-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
2,4-dimethyl-6-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}pyrimidine
2,4-dimethyl-6-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}pyrimidine
Compound characteristics
Compound ID: | D306-0426 |
Compound Name: | 2,4-dimethyl-6-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}pyrimidine |
Molecular Weight: | 333.36 |
Molecular Formula: | C15 H15 N3 O4 S |
Smiles: | Cc1cc(nc(C)n1)SCc1cc(cc2COCOc12)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.5838 |
logD: | 2.5815 |
logSw: | -2.7162 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 67.589 |
InChI Key: | SRIOVGLEPCAOJR-UHFFFAOYSA-N |