N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | Y500-0406 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | Cc1c(c(C)n(CC(Nc2c(C#N)c3CCCCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8252 |
| logD: | 1.4902 |
| logSw: | -3.3466 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.551 |
| InChI Key: | KDTLDWCTDRQITO-UHFFFAOYSA-N |