N~1~-benzyl-N~2~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-benzyl-N~2~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide
N~1~-benzyl-N~2~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide
Compound characteristics
| Compound ID: | 8019-5959 |
| Compound Name: | N~1~-benzyl-N~2~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | CC1CCc2c(C#N)c(NC(C(NCc3ccccc3)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.275 |
| logD: | -2.1352 |
| logSw: | -3.7661 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.786 |
| InChI Key: | IRSCKHOGVIQHQJ-GFCCVEGCSA-N |