1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-chlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-chlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-chlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0074 |
| Compound Name: | 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-chlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 561.44 |
| Molecular Formula: | C25 H22 Cl2 N4 O5 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3ccc(c(c3)[Cl])OC)=O)c2sc1C(N(C)C)=O)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6584 |
| logD: | 3.6582 |
| logSw: | -4.4348 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.887 |
| InChI Key: | JGNJNUGVONLJMJ-UHFFFAOYSA-N |