ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
Chemical Structure Depiction of
ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
Compound characteristics
| Compound ID: | 8020-4119 |
| Compound Name: | ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C22 H16 N4 O2 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)Sc1cc(C#N)c(C#N)cc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1185 |
| logD: | 4.0755 |
| logSw: | -4.1845 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.076 |
| InChI Key: | LYFRHYDRYBHKLP-HXUWFJFHSA-N |