ethyl 4-[8-(5-bromo-2-methoxyphenyl)-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
ethyl 4-[8-(5-bromo-2-methoxyphenyl)-9-cyano-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
ethyl 4-[8-(5-bromo-2-methoxyphenyl)-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: | C499-0918 |
| Compound Name: | ethyl 4-[8-(5-bromo-2-methoxyphenyl)-9-cyano-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate |
| Molecular Weight: | 528.42 |
| Molecular Formula: | C24 H22 Br N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2cc(ccc2OC)[Br])SC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6926 |
| logD: | 5.6926 |
| logSw: | -5.4659 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.159 |
| InChI Key: | FBOLCYGFRNPMDF-SFHVURJKSA-N |