N-(2-chloro-4-fluorophenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-chloro-4-fluorophenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | K821-0077 |
Compound Name: | N-(2-chloro-4-fluorophenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
Molecular Weight: | 365.81 |
Molecular Formula: | C16 H13 Cl F N3 O2 S |
Smiles: | CCN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc(cc1[Cl])F)=O)s2 |
Stereo: | ACHIRAL |
logP: | 3.0259 |
logD: | 2.0028 |
logSw: | -3.7148 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.631 |
InChI Key: | QSVKWIKFVUNCTK-UHFFFAOYSA-N |