3-[(2-chlorophenyl)methyl]-5-methyl-N-octyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-5-methyl-N-octyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[(2-chlorophenyl)methyl]-5-methyl-N-octyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0405 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-5-methyl-N-octyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 446.01 |
| Molecular Formula: | C23 H28 Cl N3 O2 S |
| Smiles: | CCCCCCCCNC(c1c(C)c2C(N(Cc3ccccc3[Cl])C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7843 |
| logD: | 5.7843 |
| logSw: | -6.0287 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.768 |
| InChI Key: | OCBLNSDZFOACDJ-UHFFFAOYSA-N |