N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y203-5826 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3ccc4c(c3)OCO4)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0335 |
| logD: | 2.3319 |
| logSw: | -4.388 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.216 |
| InChI Key: | SSTSMHZXUNYWLC-SNVBAGLBSA-N |