3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0565 |
| Compound Name: | 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C21 H17 Cl F N3 O S |
| Smiles: | C1C(C(C#N)=C2N(CN(Cc3ccccc3)CS2)C1=O)c1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1558 |
| logD: | 4.1558 |
| logSw: | -4.384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.055 |
| InChI Key: | LJKDEHWKMOZLAY-OAHLLOKOSA-N |