ethyl 3-[({4-[3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | K018-0027 |
| Compound Name: | ethyl 3-[({4-[3-(4-chlorophenyl)-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: | 520.01 |
| Molecular Formula: | C26 H22 Cl N5 O3 S |
| Smiles: | CCOC(c1c(C)c2C(N(C=Nc2s1)/N=C/c1ccc(cc1)N1CCC(c2ccc(cc2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9282 |
| logD: | 4.9246 |
| logSw: | -5.3442 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.834 |
| InChI Key: | DCNVKDCYXHKCQD-UHFFFAOYSA-N |