propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | Y070-1792 |
Compound Name: | propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
Molecular Weight: | 403.46 |
Molecular Formula: | C19 H21 N3 O5 S |
Smiles: | CCC1C(N2C(C(=C(C)N=C2S1)C(=O)OC(C)C)c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.671 |
logD: | 3.671 |
logSw: | -3.8693 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 79.079 |
InChI Key: | LFEPLMKZOTYFFP-UHFFFAOYSA-N |