8-(5-bromo-2-methoxyphenyl)-3-methyl-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-methyl-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-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0915 |
| Compound Name: | 8-(5-bromo-2-methoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 394.29 |
| Molecular Formula: | C16 H16 Br N3 O2 S |
| Smiles: | CN1CN2C(=C(C#N)C(CC2=O)c2cc(ccc2OC)[Br])SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1618 |
| logD: | 3.1615 |
| logSw: | -3.2458 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.621 |
| InChI Key: | ZUYQCUKTYZEMIJ-NSHDSACASA-N |