N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8018-4571 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 440.3 |
| Molecular Formula: | C16 H17 I N4 O S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(Cn1cc(cn1)I)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2003 |
| logD: | 3.0321 |
| logSw: | -4.1907 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.996 |
| InChI Key: | VAGLCFXAMAVNCV-UHFFFAOYSA-N |