2-[4-(4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}phenoxy)anilino]-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonitrile
Chemical Structure Depiction of
2-[4-(4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}phenoxy)anilino]-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonitrile
2-[4-(4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}phenoxy)anilino]-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonitrile
Compound characteristics
| Compound ID: | 3664-0093 |
| Compound Name: | 2-[4-(4-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}phenoxy)anilino]-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonitrile |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C30 H31 N3 O4 |
| Smiles: | CC1(C)CC(=C(C#N)C(C1)=O)Nc1ccc(cc1)Oc1ccc(cc1)NC=C1C(CC(C)(C)CC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0595 |
| logD: | 4.1518 |
| logSw: | -4.6861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.221 |
| InChI Key: | OZZYMKRLNKYQDT-UHFFFAOYSA-N |