N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8017-1238 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 440.3 |
| Molecular Formula: | C16 H17 I N4 O S |
| Smiles: | Cc1c(c(C)n(CC(Nc2c(C#N)c3CCCCc3s2)=O)n1)I |
| Stereo: | ACHIRAL |
| logP: | 2.8595 |
| logD: | 1.5245 |
| logSw: | -3.1266 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.441 |
| InChI Key: | RPXZJSKNUHMEPJ-UHFFFAOYSA-N |