methyl 3-{2-[3-(ethoxycarbonyl)piperidin-1-yl]-2-oxoethyl}-7-methyl-5-(4-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-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-{2-[3-(ethoxycarbonyl)piperidin-1-yl]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-7809 |
| Compound Name: | methyl 3-{2-[3-(ethoxycarbonyl)piperidin-1-yl]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 528.58 |
| Molecular Formula: | C25 H28 N4 O7 S |
| Smiles: | CCOC(C1CCCN(C1)C(CC1=CSC2=NC(C)=C(C(c3ccc(cc3)[N+]([O-])=O)N12)C(=O)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1651 |
| logD: | 3.1645 |
| logSw: | -3.3468 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.02 |
| InChI Key: | JSWMSNIKLLDBLN-UHFFFAOYSA-N |