N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | G786-0339 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H18 N2 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(c3ccc4c(c3)OCCO4)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.235 |
| logD: | 1.5333 |
| logSw: | -3.6319 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.255 |
| InChI Key: | FYLCHDZQXCOPCB-UHFFFAOYSA-N |