N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K936-0069 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C20 H21 N5 O6 S |
| Smiles: | CCCNC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1cc(ccc1OC)[N+]([O-])=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6371 |
| logD: | 0.2538 |
| logSw: | -2.7277 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.231 |
| InChI Key: | VHIKWTIEMJXAAR-UHFFFAOYSA-N |