3-(3,4-dimethylphenyl)-8-(4-hydroxy-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-(3,4-dimethylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3,4-dimethylphenyl)-8-(4-hydroxy-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: | C499-0271 |
Compound Name: | 3-(3,4-dimethylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
Molecular Weight: | 421.52 |
Molecular Formula: | C23 H23 N3 O3 S |
Smiles: | Cc1ccc(cc1C)N1CN2C(=C(C#N)C(CC2=O)c2ccc(c(c2)OC)O)SC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.341 |
logD: | 4.3402 |
logSw: | -3.9431 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.953 |
InChI Key: | YZITYFLOFQMQFX-GOSISDBHSA-N |