methyl 3-amino-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-amino-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5191 |
| Compound Name: | methyl 3-amino-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C16 H14 N4 O5 S2 |
| Smiles: | Cc1c2C(N(C(=Nc2sc1C(=O)OC)SCc1cccc(c1)[N+]([O-])=O)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5206 |
| logD: | 2.5206 |
| logSw: | -2.6658 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.006 |
| InChI Key: | OFQBDDHIDBLOMA-UHFFFAOYSA-N |