{3-[(amino-kappaN)(methylsulfanyl)methylidene]-6-(dimethylamino)hex-5-ene-2,4-dionato-kappaO~4~}(diphenyl)boron
Chemical Structure Depiction of
{3-[(amino-kappaN)(methylsulfanyl)methylidene]-6-(dimethylamino)hex-5-ene-2,4-dionato-kappaO~4~}(diphenyl)boron
{3-[(amino-kappaN)(methylsulfanyl)methylidene]-6-(dimethylamino)hex-5-ene-2,4-dionato-kappaO~4~}(diphenyl)boron
Compound characteristics
| Compound ID: | Y600-4676 |
| Compound Name: | {3-[(amino-kappaN)(methylsulfanyl)methylidene]-6-(dimethylamino)hex-5-ene-2,4-dionato-kappaO~4~}(diphenyl)boron |
| Molecular Weight: | 392.33 |
| Molecular Formula: | C22 H25 B N2 O2 S |
| Smiles: | [B-]1(c2ccccc2)(c2ccccc2)NC(=C(C(C)=O)C(/C=C/N(C)C)=[O+]1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.4037 |
| logD: | 4.0761 |
| logSw: | -4.2578 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.666 |
| InChI Key: | GQJJMLXCIPLUHW-UHFFFAOYSA-N |