2-methyl-4-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-phenylpyrimidine
Chemical Structure Depiction of
2-methyl-4-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-phenylpyrimidine
2-methyl-4-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-phenylpyrimidine
Compound characteristics
| Compound ID: | D306-0427 |
| Compound Name: | 2-methyl-4-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-phenylpyrimidine |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | Cc1nc(cc(n1)SCc1cc(cc2COCOc12)[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4906 |
| logD: | 4.4885 |
| logSw: | -4.466 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.511 |
| InChI Key: | MZUADMNLWSBBJO-UHFFFAOYSA-N |