2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-[2-(4-chlorophenyl)ethyl]-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-[2-(4-chlorophenyl)ethyl]-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-[2-(4-chlorophenyl)ethyl]-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5154 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-[2-(4-chlorophenyl)ethyl]-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 538.09 |
| Molecular Formula: | C26 H24 Cl N5 O2 S2 |
| Smiles: | Cc1c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2sc1C(N(C)C)=O)SCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7095 |
| logD: | 4.7092 |
| logSw: | -4.9974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.934 |
| InChI Key: | MSKPDYJKFVCNNK-UHFFFAOYSA-N |