5-(4-chlorophenyl)-3-[({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(4-chlorophenyl)-3-[({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]thieno[2,3-d]pyrimidin-4(3H)-one
5-(4-chlorophenyl)-3-[({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0034 |
| Compound Name: | 5-(4-chlorophenyl)-3-[({4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 540.04 |
| Molecular Formula: | C29 H22 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1)C1CCN(c2ccc(/C=N/N3C=Nc4c(C3=O)c(cs4)c3ccc(cc3)[Cl])cc2)N=1 |
| Stereo: | ACHIRAL |
| logP: | 5.9696 |
| logD: | 5.9506 |
| logSw: | -6.3266 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.353 |
| InChI Key: | ZHLGACPIFAVUQS-UHFFFAOYSA-N |