N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitrobenzamide
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-4249 |
| Compound Name: | N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | CCC1CCc2c(C#N)c(NC(c3ccc(c(c3)[N+]([O-])=O)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1552 |
| logD: | 0.7163 |
| logSw: | -4.5659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.812 |
| InChI Key: | RDKLUXSLRSOVCZ-LLVKDONJSA-N |