1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0167 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-ethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 499.99 |
| Molecular Formula: | C25 H23 Cl F N3 O3 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c(C)c(C(N(C)C)=O)sc2N(Cc2ccc(cc2[Cl])F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8026 |
| logD: | 4.8026 |
| logSw: | -5.1308 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.107 |
| InChI Key: | LYMCACXRKSWNFB-UHFFFAOYSA-N |