N-{4-[2-amino-1,5-dicyano-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[2-amino-1,5-dicyano-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl}acetamide
N-{4-[2-amino-1,5-dicyano-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | 6234-0499 |
| Compound Name: | N-{4-[2-amino-1,5-dicyano-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl}acetamide |
| Molecular Weight: | 399.54 |
| Molecular Formula: | C19 H21 N5 O S2 |
| Smiles: | CCSC1(C2(C#N)C(c3ccc(cc3)NC(C)=O)C2(C#N)C(N)=N1)SCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0573 |
| logD: | 0.5472 |
| logSw: | -3.2825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.921 |
| InChI Key: | MBGYGJSJKDGOIS-UHFFFAOYSA-N |