3-(3-chloro-2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(3-chloro-2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3-chloro-2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
Compound ID: | C499-0759 |
Compound Name: | 3-(3-chloro-2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
Molecular Weight: | 485.99 |
Molecular Formula: | C24 H24 Cl N3 O4 S |
Smiles: | Cc1c(cccc1[Cl])N1CN2C(=C(C#N)C(CC2=O)c2cc(c(cc2OC)OC)OC)SC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5316 |
logD: | 4.5316 |
logSw: | -4.6319 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 60.365 |
InChI Key: | NYFTWWJSEZAPIB-OAHLLOKOSA-N |