benzyl 8-methyl-6-(3-nitrophenyl)-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Chemical Structure Depiction of
benzyl 8-methyl-6-(3-nitrophenyl)-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
benzyl 8-methyl-6-(3-nitrophenyl)-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Compound characteristics
Compound ID: | 5756-2904 |
Compound Name: | benzyl 8-methyl-6-(3-nitrophenyl)-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate |
Molecular Weight: | 437.47 |
Molecular Formula: | C22 H19 N3 O5 S |
Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(=N1)SCCC2=O)C(=O)OCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5109 |
logD: | 2.9115 |
logSw: | -3.8357 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 79.416 |
InChI Key: | QKEQTBMSZNXCMZ-HXUWFJFHSA-N |