methyl 7-methyl-5-(4-nitrophenyl)-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-methyl-5-(4-nitrophenyl)-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-methyl-5-(4-nitrophenyl)-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | V020-0441 |
Compound Name: | methyl 7-methyl-5-(4-nitrophenyl)-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
Molecular Weight: | 472.52 |
Molecular Formula: | C22 H24 N4 O6 S |
Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)N2C(CC(NCC3CCCO3)=O)=CSC2=N1)C(=O)OC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.9772 |
logD: | 1.9766 |
logSw: | -2.4257 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.066 |
InChI Key: | PFGRXSHIOMYDAJ-UHFFFAOYSA-N |