3-[4-(2-hydroxyethyl)phenyl]-8-(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
3-[4-(2-hydroxyethyl)phenyl]-8-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-[4-(2-hydroxyethyl)phenyl]-8-(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: | D006-0164 |
| Compound Name: | 3-[4-(2-hydroxyethyl)phenyl]-8-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)c1ccc(CCO)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6119 |
| logD: | 3.6119 |
| logSw: | -3.6382 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.43 |
| InChI Key: | LDAOYKNIBWMXTB-HXUWFJFHSA-N |