ethyl 3-[({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K018-0031 |
| Compound Name: | ethyl 3-[({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C27 H25 N5 O4 S |
| Smiles: | CCOC(c1c(C)c2C(N(C=Nc2s1)/N=C/c1ccc(cc1)N1CCC(c2ccc(cc2)OC)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3158 |
| logD: | 4.3123 |
| logSw: | -4.3441 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.378 |
| InChI Key: | WDVQTILXBHPWCC-UHFFFAOYSA-N |