N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y503-0858 |
| Compound Name: | N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | CCC1CCc2c(C#N)c(NC(/C=C/c3cccc(c3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3569 |
| logD: | 4.1833 |
| logSw: | -5.4991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.269 |
| InChI Key: | PTQWAUZOEMERLL-CYBMUJFWSA-N |