3-benzyl-8-(5-bromo-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
3-benzyl-8-(5-bromo-2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-benzyl-8-(5-bromo-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: | C499-0916 |
| Compound Name: | 3-benzyl-8-(5-bromo-2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 470.39 |
| Molecular Formula: | C22 H20 Br N3 O2 S |
| Smiles: | COc1ccc(cc1C1CC(N2CN(Cc3ccccc3)CSC2=C1C#N)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6936 |
| logD: | 4.6936 |
| logSw: | -4.4802 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.685 |
| InChI Key: | ZZTWVMVMPCOEDL-KRWDZBQOSA-N |