8-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0989 |
| Compound Name: | 8-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-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: | CN1CN2C(=C(C#N)C(CC2=O)c2ccc(c(c2)OC)OCc2ccccc2)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4144 |
| logD: | 3.4141 |
| logSw: | -3.8822 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.936 |
| InChI Key: | QNSTYVAUWFHLSV-GOSISDBHSA-N |