ethyl 5-methyl-3-{[(5-nitrothiophen-2-yl)methylidene]amino}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-3-{[(5-nitrothiophen-2-yl)methylidene]amino}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 5-methyl-3-{[(5-nitrothiophen-2-yl)methylidene]amino}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K018-0058 |
| Compound Name: | ethyl 5-methyl-3-{[(5-nitrothiophen-2-yl)methylidene]amino}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C15 H12 N4 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(C=Nc2s1)/N=C/c1ccc([N+]([O-])=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9225 |
| logD: | 2.9225 |
| logSw: | -3.2309 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.621 |
| InChI Key: | OBXSJEKZWNRRFK-UHFFFAOYSA-N |