N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-9H-xanthene-9-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-9H-xanthene-9-carboxamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-9H-xanthene-9-carboxamide
Compound characteristics
| Compound ID: | 6049-1517 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-9H-xanthene-9-carboxamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C25 H22 N2 O2 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(C1c3ccccc3Oc3ccccc13)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.8897 |
| logD: | -0.5809 |
| logSw: | -5.8365 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.245 |
| InChI Key: | KSYLZDWLEXBYQD-UHFFFAOYSA-N |