8-(2H-1,3-benzodioxol-5-yl)-3-benzyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(2H-1,3-benzodioxol-5-yl)-3-benzyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(2H-1,3-benzodioxol-5-yl)-3-benzyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-1005 |
| Compound Name: | 8-(2H-1,3-benzodioxol-5-yl)-3-benzyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | C1C(C(C#N)=C2N(CN(Cc3ccccc3)CS2)C1=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7034 |
| logD: | 3.7034 |
| logSw: | -4.1092 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.17 |
| InChI Key: | NELGWBDLQWNGRE-QGZVFWFLSA-N |