methyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8010-7590 |
| Compound Name: | methyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 311.31 |
| Molecular Formula: | C12 H13 N3 O5 S |
| Smiles: | CC1=C(C(c2ccc([N+]([O-])=O)s2)NC(N1C)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.552 |
| logD: | 1.4477 |
| logSw: | -2.3454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.6 |
| InChI Key: | FFGKBMNSYASWIK-JTQLQIEISA-N |