2-[7,7-dimethyl-4-(3-methylthiophen-2-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[7,7-dimethyl-4-(3-methylthiophen-2-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
2-[7,7-dimethyl-4-(3-methylthiophen-2-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-7109 |
| Compound Name: | 2-[7,7-dimethyl-4-(3-methylthiophen-2-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 478.68 |
| Molecular Formula: | C27 H30 N2 O2 S2 |
| Smiles: | Cc1ccsc1C1CC(N(C2CC(C)(C)CC(C1=2)=O)c1c(C#N)c2CCCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9318 |
| logD: | 5.9318 |
| logSw: | -5.3624 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.981 |
| InChI Key: | SHEFNTZMJXUJOX-SFHVURJKSA-N |