N~1~,N~5~-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide
Chemical Structure Depiction of
N~1~,N~5~-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide
N~1~,N~5~-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide
Compound characteristics
| Compound ID: | Y500-1217 |
| Compound Name: | N~1~,N~5~-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide |
| Molecular Weight: | 508.7 |
| Molecular Formula: | C27 H32 N4 O2 S2 |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(CCCC(Nc1c(C#N)c3CCCCCCc3s1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.6583 |
| logD: | 4.3451 |
| logSw: | -5.5037 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.47 |
| InChI Key: | BANLJASBJNIEIE-UHFFFAOYSA-N |