1-[(2-chloro-4-fluorophenyl)methyl]-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-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[(2-chloro-4-fluorophenyl)methyl]-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: | K305-0068 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 506.38 |
| Molecular Formula: | C23 H18 Cl2 F N3 O3 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3[Cl])F)c2sc1C(N(C)C)=O)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4667 |
| logD: | 4.4667 |
| logSw: | -4.7686 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.107 |
| InChI Key: | CQSQRWKCFQDKFL-UHFFFAOYSA-N |