2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-1-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-9307 |
| Compound Name: | 2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-1-(3-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 561.15 |
| Molecular Formula: | C28 H21 Cl N4 O S3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[Cl])c2cc(CSc3nc4ccccc4s3)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2633 |
| logD: | 6.2633 |
| logSw: | -6.1749 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.205 |
| InChI Key: | MADBOGPUPGGYLI-RUZDIDTESA-N |