ethyl 7,8-dicyano-2-methyl-4-(4-methylphenyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
Chemical Structure Depiction of
ethyl 7,8-dicyano-2-methyl-4-(4-methylphenyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
ethyl 7,8-dicyano-2-methyl-4-(4-methylphenyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
Compound characteristics
| Compound ID: | 8020-8053 |
| Compound Name: | ethyl 7,8-dicyano-2-methyl-4-(4-methylphenyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C23 H18 N4 O2 S |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)N2C(=NC=1C)Sc1cc(C#N)c(C#N)cc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5376 |
| logD: | 4.4946 |
| logSw: | -4.3431 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.076 |
| InChI Key: | RDOVRRITSGJLGB-OAQYLSRUSA-N |