6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Chemical Structure Depiction of
6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Compound characteristics
| Compound ID: | 7218-1400 |
| Compound Name: | 6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile |
| Molecular Weight: | 347.5 |
| Molecular Formula: | C17 H21 N3 O S2 |
| Smiles: | CCCCSC1=C(C#N)C(NC(c2ccc(cc2)N(C)C)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3272 |
| logD: | 4.3161 |
| logSw: | -4.0993 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.667 |
| InChI Key: | ATEKGCNOICIETP-INIZCTEOSA-N |