3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2,3-dimethylcyclohexyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2,3-dimethylcyclohexyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2,3-dimethylcyclohexyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0295 |
| Compound Name: | 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2,3-dimethylcyclohexyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 501.05 |
| Molecular Formula: | C25 H29 Cl N4 O3 S |
| Smiles: | CC1CCCC(C1C)NC(c1c(C)c2C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)C=Nc2s1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8416 |
| logD: | 4.8415 |
| logSw: | -5.1009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.919 |
| InChI Key: | AXMGHDKJKWNSPX-UHFFFAOYSA-N |