3-benzyl-N-cyclohexyl-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-benzyl-N-cyclohexyl-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-benzyl-N-cyclohexyl-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016717 |
| Compound Name: | 3-benzyl-N-cyclohexyl-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 548.68 |
| Molecular Formula: | C28 H28 N4 O4 S2 |
| Smiles: | Cc1c2C(N(Cc3ccccc3)C(=Nc2sc1C(NC1CCCCC1)=O)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2265 |
| logD: | 6.2265 |
| logSw: | -5.3927 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.193 |
| InChI Key: | NYCDHGRWRWJGDV-UHFFFAOYSA-N |