N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y205-0363 |
| Compound Name: | N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H18 N2 O3 S |
| Smiles: | CCC1CCc2c(C#N)c(NC(c3ccc4c(c3)OCO4)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.579 |
| logD: | 2.8774 |
| logSw: | -4.6298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.216 |
| InChI Key: | BPPDYNCVXRGFNG-LLVKDONJSA-N |