N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide
N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y500-7750 |
| Compound Name: | N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CCCC1CCc2c(C#N)c(NC(c3cccc(c3C)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3308 |
| logD: | 1.0496 |
| logSw: | -5.4616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.181 |
| InChI Key: | HXBOCDMMEZISPM-CYBMUJFWSA-N |