3-(3-chloro-2-methylphenyl)-8-(3-methoxyphenyl)-6-oxo-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)-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3-chloro-2-methylphenyl)-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
Compound ID: | C499-0651 |
Compound Name: | 3-(3-chloro-2-methylphenyl)-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
Molecular Weight: | 425.94 |
Molecular Formula: | C22 H20 Cl N3 O2 S |
Smiles: | Cc1c(cccc1[Cl])N1CN2C(=C(C#N)C(CC2=O)c2cccc(c2)OC)SC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0644 |
logD: | 5.0644 |
logSw: | -5.4184 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 45.018 |
InChI Key: | FNAFEAGMRFYIPF-QGZVFWFLSA-N |