2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7066 |
| Compound Name: | 2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 505.6 |
| Molecular Formula: | C26 H27 N5 O4 S |
| Smiles: | Cc1c(CN2CCOCC2)cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2cccc(c2)[N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8302 |
| logD: | 2.1179 |
| logSw: | -3.397 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.418 |
| InChI Key: | YWSRYHSGLWWWRN-DEOSSOPVSA-N |