2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7904 |
| Compound Name: | 2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 556.73 |
| Molecular Formula: | C29 H24 N4 O2 S3 |
| Smiles: | COc1ccc(cc1)N1C2CCCC(C=2C(C(C#N)=C1N)c1cc(CSc2nc3ccccc3s2)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6062 |
| logD: | 5.6062 |
| logSw: | -5.3601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.749 |
| InChI Key: | CJKAZCHLQJRPDN-SANMLTNESA-N |