N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0265 |
| Compound Name: | N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 579.01 |
| Molecular Formula: | C28 H20 Cl F N4 O5 S |
| Smiles: | Cc1cc(ccc1[Cl])Oc1cc(cc(c1)[N+]([O-])=O)NC(c1c(C)c2C(N(Cc3ccccc3F)C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9725 |
| logD: | 6.7333 |
| logSw: | -6.4988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.462 |
| InChI Key: | USBYKHHXUSFMHG-UHFFFAOYSA-N |