N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 2425-4356 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C18 H15 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3774 |
| logD: | 3.2039 |
| logSw: | -4.5551 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.269 |
| InChI Key: | ROISWWBADGRWDB-UHFFFAOYSA-N |