N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y204-2956 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3ccc4c(c3)OCO4)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1568 |
| logD: | 3.4552 |
| logSw: | -5.1709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.216 |
| InChI Key: | SRYKARZXDXIHJC-CYBMUJFWSA-N |