methyl 3-{2-[3-(ethoxycarbonyl)piperidin-1-yl]-2-oxoethyl}-7-ethyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[3-(ethoxycarbonyl)piperidin-1-yl]-2-oxoethyl}-7-ethyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-{2-[3-(ethoxycarbonyl)piperidin-1-yl]-2-oxoethyl}-7-ethyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0377 |
| Compound Name: | methyl 3-{2-[3-(ethoxycarbonyl)piperidin-1-yl]-2-oxoethyl}-7-ethyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C26 H30 N4 O7 S |
| Smiles: | CCC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(CC(N3CCCC(C3)C(=O)OCC)=O)=CSC2=N1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.58 |
| logD: | 3.5785 |
| logSw: | -3.7638 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.627 |
| InChI Key: | YHMPKQWDIJZMRF-UHFFFAOYSA-N |