8-(4-bromophenyl)-3-(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
8-(4-bromophenyl)-3-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(4-bromophenyl)-3-(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: | C499-0857 |
| Compound Name: | 8-(4-bromophenyl)-3-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 440.36 |
| Molecular Formula: | C21 H18 Br N3 O S |
| Smiles: | Cc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)[Br])SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3608 |
| logD: | 5.3608 |
| logSw: | -5.2663 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.775 |
| InChI Key: | VGVAKJJKEHLMQS-SFHVURJKSA-N |