8-(4-fluorophenyl)-3-(3-methylbutyl)-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-fluorophenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(4-fluorophenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0330 |
| Compound Name: | 8-(4-fluorophenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 359.46 |
| Molecular Formula: | C19 H22 F N3 O S |
| Smiles: | CC(C)CCN1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)F)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8672 |
| logD: | 3.8669 |
| logSw: | -3.8717 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.305 |
| InChI Key: | GTWADJMHSZYFIT-MRXNPFEDSA-N |