3-(4-chlorophenyl)-1-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-(4-chlorophenyl)-1-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0063 |
| Compound Name: | 3-(4-chlorophenyl)-1-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 545.44 |
| Molecular Formula: | C25 H22 Cl2 N4 O4 S |
| Smiles: | Cc1c2C(N(C(N(CC(NCc3ccccc3[Cl])=O)c2sc1C(N(C)C)=O)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5075 |
| logD: | 3.5075 |
| logSw: | -4.2052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.579 |
| InChI Key: | RFEXPWYNCATQRT-UHFFFAOYSA-N |