N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y500-6364 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide |
| Molecular Weight: | 391.32 |
| Molecular Formula: | C19 H16 Cl2 N2 O S |
| Smiles: | C1CCc2c(C#N)c(NC(/C=C\c3ccc(c(c3)[Cl])[Cl])=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.4683 |
| logD: | 5.2948 |
| logSw: | -6.7859 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.218 |
| InChI Key: | BQJCWDUOVQUGSY-UHFFFAOYSA-N |