N-(4-bromo-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(4-bromo-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0457 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 502.82 |
| Molecular Formula: | C22 H17 Br Cl N3 O2 S |
| Smiles: | Cc1cc(ccc1NC(c1c(C)c2C(N(Cc3ccccc3[Cl])C=Nc2s1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2743 |
| logD: | 5.1896 |
| logSw: | -5.9728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.635 |
| InChI Key: | XAGNOSPEFGXKKX-UHFFFAOYSA-N |