ethyl 5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5046 |
| Compound Name: | ethyl 5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C22 H19 N3 O5 S3 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccs3)C(=Nc2s1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0844 |
| logD: | 5.0844 |
| logSw: | -5.0319 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.827 |
| InChI Key: | VEXXGCZXJOKYSZ-UHFFFAOYSA-N |