benzyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 6187-0723 |
| Compound Name: | benzyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | [H]C([H])(c1ccccc1)OC(C1C(c2ccccc2[N+]([O-])=O)N2C(=NC=1C)SC(CC)C2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2456 |
| logD: | 4.2456 |
| logSw: | -4.5334 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.203 |
| InChI Key: | ZYAGLFLSYMVYQS-UHFFFAOYSA-N |