ethyl 3-[9-cyano-8-(4-methylphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 3-[9-cyano-8-(4-methylphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
ethyl 3-[9-cyano-8-(4-methylphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Compound characteristics
Compound ID: | D006-0142 |
Compound Name: | ethyl 3-[9-cyano-8-(4-methylphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate |
Molecular Weight: | 433.53 |
Molecular Formula: | C24 H23 N3 O3 S |
Smiles: | CCOC(c1cccc(c1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(C)cc2)SC1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9448 |
logD: | 4.9448 |
logSw: | -4.6578 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 58.528 |
InChI Key: | NYUNCZVFEDOZHP-HXUWFJFHSA-N |