N-[4-(4-chlorophenoxy)phenyl]-2,3,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[4-(4-chlorophenoxy)phenyl]-2,3,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-[4-(4-chlorophenoxy)phenyl]-2,3,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K823-0039 |
| Compound Name: | N-[4-(4-chlorophenoxy)phenyl]-2,3,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | CC1=Nc2c(C(N1C)=O)c(C)c(C(Nc1ccc(cc1)Oc1ccc(cc1)[Cl])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.6698 |
| logD: | 4.6686 |
| logSw: | -5.2131 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.164 |
| InChI Key: | NRQLLSYYBSOWOS-UHFFFAOYSA-N |