N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(4-methoxyphenoxy)methyl]benzamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(4-methoxyphenoxy)methyl]benzamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(4-methoxyphenoxy)methyl]benzamide
Compound characteristics
| Compound ID: | Y500-8659 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(4-methoxyphenoxy)methyl]benzamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C28 H30 N2 O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3ccc(COc4ccc(cc4)OC)cc3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6311 |
| logD: | 3.9252 |
| logSw: | -5.7333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.872 |
| InChI Key: | QCHNZYPDOZDFAI-HXUWFJFHSA-N |