N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-1125 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3cc(c4ccc(c(c4)OC)OC)on3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5744 |
| logD: | 4.2834 |
| logSw: | -5.5178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.897 |
| InChI Key: | UMKINZOUMDMQSC-OAHLLOKOSA-N |