N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
Compound characteristics
| Compound ID: | 6048-0189 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C23 H18 N2 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(C1c3ccccc3Oc3ccccc13)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.8979 |
| logD: | -1.5727 |
| logSw: | -4.942 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.914 |
| InChI Key: | JSBJGOQJSNOIGJ-UHFFFAOYSA-N |