2-phenylethyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-phenylethyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-phenylethyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 3404-5379 |
| Compound Name: | 2-phenylethyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C19 H19 N3 O5 S |
| Smiles: | CC1=C(C(c2ccc([N+]([O-])=O)s2)NC(N1C)=O)C(=O)OCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5001 |
| logD: | 3.3958 |
| logSw: | -3.8285 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.203 |
| InChI Key: | MCWWTJISCJBDPV-KRWDZBQOSA-N |