3-(3-methylbutyl)-8-(4-methylphenyl)-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-methylbutyl)-8-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3-methylbutyl)-8-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0153 |
| Compound Name: | 3-(3-methylbutyl)-8-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 355.5 |
| Molecular Formula: | C20 H25 N3 O S |
| Smiles: | CC(C)CCN1CN2C(=C(C#N)C(CC2=O)c2ccc(C)cc2)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2616 |
| logD: | 4.2612 |
| logSw: | -3.9715 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.305 |
| InChI Key: | JXBYSZFVDBCBJC-QGZVFWFLSA-N |