3-ethyl-5-methyl-N-(3-nitrophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-ethyl-5-methyl-N-(3-nitrophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-ethyl-5-methyl-N-(3-nitrophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0046F |
| Compound Name: | 3-ethyl-5-methyl-N-(3-nitrophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C16 H14 N4 O4 S |
| Smiles: | CCN1C=Nc2c(C1=O)c(C)c(C(Nc1cccc(c1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.4623 |
| logD: | 2.1999 |
| logSw: | -2.9077 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.71 |
| InChI Key: | LSYBCFBELQZURP-UHFFFAOYSA-N |