8-(4-fluorophenyl)-3-(2-methoxyphenyl)-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-(2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(4-fluorophenyl)-3-(2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0113 |
| Compound Name: | 8-(4-fluorophenyl)-3-(2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C21 H18 F N3 O2 S |
| Smiles: | COc1ccccc1N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)F)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7762 |
| logD: | 3.7762 |
| logSw: | -4.0084 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.104 |
| InChI Key: | BQLDTCJWGGBBIP-MRXNPFEDSA-N |