2-{[(2-cyanophenyl)methyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-cyanophenyl)methyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-{[(2-cyanophenyl)methyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5139 |
| Compound Name: | 2-{[(2-cyanophenyl)methyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C26 H24 N4 O2 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(N(C)C)=O)SCc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0899 |
| logD: | 4.0899 |
| logSw: | -4.3767 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.708 |
| InChI Key: | RHIXEWXMKRBJQU-UHFFFAOYSA-N |