2-(3-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}anilino)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonitrile
Chemical Structure Depiction of
2-(3-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}anilino)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonitrile
2-(3-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}anilino)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonitrile
Compound characteristics
| Compound ID: | 4533-0091 |
| Compound Name: | 2-(3-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}anilino)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonitrile |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C24 H27 N3 O3 |
| Smiles: | CC1(C)CC(=C(C#N)C(C1)=O)Nc1cccc(c1)NC=C1C(CC(C)(C)CC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2237 |
| logD: | 2.6114 |
| logSw: | -3.4313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.473 |
| InChI Key: | RMXKEWDYNHIRPG-UHFFFAOYSA-N |