ethyl 3-{2-[ethyl(methyl)amino]-2-oxoethyl}-5-(3-nitrophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-{2-[ethyl(methyl)amino]-2-oxoethyl}-5-(3-nitrophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 3-{2-[ethyl(methyl)amino]-2-oxoethyl}-5-(3-nitrophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | V019-3434 |
Compound Name: | ethyl 3-{2-[ethyl(methyl)amino]-2-oxoethyl}-5-(3-nitrophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
Molecular Weight: | 506.58 |
Molecular Formula: | C26 H26 N4 O5 S |
Smiles: | CCN(C)C(CC1=CSC2=NC(=C(C(c3cccc(c3)[N+]([O-])=O)N12)C(=O)OCC)c1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5895 |
logD: | 4.5836 |
logSw: | -4.5009 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 81.641 |
InChI Key: | ZSIVKYADKZWNTP-XMMPIXPASA-N |