3-(4-ethylphenyl)-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(4-ethylphenyl)-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-ethylphenyl)-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0598 |
| Compound Name: | 3-(4-ethylphenyl)-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C25 H27 N3 O S |
| Smiles: | CCc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)C(C)C)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3723 |
| logD: | 6.3723 |
| logSw: | -5.4803 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.775 |
| InChI Key: | LXAGZBLELANRJT-JOCHJYFZSA-N |