ethyl 4-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate
ethyl 4-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K892-0319 |
| Compound Name: | ethyl 4-{3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 532.02 |
| Molecular Formula: | C24 H26 Cl N5 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1c(C)c2C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)C=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5146 |
| logD: | 3.5145 |
| logSw: | -4.1665 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.819 |
| InChI Key: | LUVGLAQXNZFWMP-UHFFFAOYSA-N |