2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8938 |
| Compound Name: | 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 523.1 |
| Molecular Formula: | C28 H31 Cl N4 O2 S |
| Smiles: | Cc1c(cccc1[Cl])N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1cc(CN2CCOCC2)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0992 |
| logD: | 3.2053 |
| logSw: | -4.3268 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.735 |
| InChI Key: | UDTSSUOPMADMEY-RUZDIDTESA-N |