N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-1592 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3ccc(cc3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1601 |
| logD: | 2.3833 |
| logSw: | -5.0922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.482 |
| InChI Key: | JMOKCAZNCATAPL-CYBMUJFWSA-N |