3-[4-(2-hydroxyethyl)phenyl]-8-(4-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-[4-(2-hydroxyethyl)phenyl]-8-(4-methoxyphenyl)-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-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0258 |
| Compound Name: | 3-[4-(2-hydroxyethyl)phenyl]-8-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | COc1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)c1ccc(CCO)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1709 |
| logD: | 3.1709 |
| logSw: | -3.2358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.974 |
| InChI Key: | PUWWQHRXMXRJQZ-HXUWFJFHSA-N |