2-amino-4,4-bis[(2-hydroxyethyl)sulfanyl]-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-4,4-bis[(2-hydroxyethyl)sulfanyl]-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
2-amino-4,4-bis[(2-hydroxyethyl)sulfanyl]-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-4221 |
| Compound Name: | 2-amino-4,4-bis[(2-hydroxyethyl)sulfanyl]-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C20 H24 N4 O5 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2(C#N)C(N)=NC(C12C#N)(SCCO)SCCO |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8559 |
| logD: | -1.4493 |
| logSw: | -1.5321 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 119.948 |
| InChI Key: | RTRCUKIDCOIZQI-UHFFFAOYSA-N |