N-(3-chloro-4-fluorophenyl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(3-chloro-4-fluorophenyl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0254 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 519.38 |
| Molecular Formula: | C23 H17 Cl2 F N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc(c(c1)[Cl])F)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.323 |
| logD: | 4.3054 |
| logSw: | -6.2019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.482 |
| InChI Key: | QBSKSMDBSVRQHG-UHFFFAOYSA-N |