1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0123 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 501.96 |
| Molecular Formula: | C24 H21 Cl F N3 O4 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3[Cl])F)c2sc1C(N(C)C)=O)=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0358 |
| logD: | 4.0358 |
| logSw: | -4.6126 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.651 |
| InChI Key: | LNIFBECSLGQWLT-UHFFFAOYSA-N |