methyl 4-[8-(4-chlorophenyl)-9-cyano-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Chemical Structure Depiction of
methyl 4-[8-(4-chlorophenyl)-9-cyano-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
methyl 4-[8-(4-chlorophenyl)-9-cyano-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | D006-0219 |
| Compound Name: | methyl 4-[8-(4-chlorophenyl)-9-cyano-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | COC(c1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)[Cl])SC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.789 |
| logD: | 4.789 |
| logSw: | -5.1665 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.949 |
| InChI Key: | ZUIWQCMVHGXJNE-SFHVURJKSA-N |