8-(5-bromo-2-methoxyphenyl)-3-cyclohexyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(5-bromo-2-methoxyphenyl)-3-cyclohexyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(5-bromo-2-methoxyphenyl)-3-cyclohexyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0907 |
| Compound Name: | 8-(5-bromo-2-methoxyphenyl)-3-cyclohexyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 462.41 |
| Molecular Formula: | C21 H24 Br N3 O2 S |
| Smiles: | COc1ccc(cc1C1CC(N2CN(CSC2=C1C#N)C1CCCCC1)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9501 |
| logD: | 4.9497 |
| logSw: | -4.6488 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.238 |
| InChI Key: | LGSMFFXITGXQKQ-INIZCTEOSA-N |