N-butyl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-butyl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-butyl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0331 |
| Compound Name: | N-butyl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 460.98 |
| Molecular Formula: | C22 H25 Cl N4 O3 S |
| Smiles: | CCCCN(C)C(c1c(C)c2C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0492 |
| logD: | 4.049 |
| logSw: | -4.5916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.791 |
| InChI Key: | DQBSKILLEBIIEI-UHFFFAOYSA-N |