8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
Compound ID: | C499-1054 |
Compound Name: | 8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
Molecular Weight: | 504.38 |
Molecular Formula: | C22 H19 Br F N3 O3 S |
Smiles: | CCOc1cc(cc(c1O)[Br])C1CC(N2CN(CSC2=C1C#N)c1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8162 |
logD: | 4.8085 |
logSw: | -4.3567 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.464 |
InChI Key: | ISOHQFYZCMWBLA-INIZCTEOSA-N |