2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | Y500-0431 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide |
| Molecular Weight: | 438.3 |
| Molecular Formula: | C16 H16 Br N5 O3 S |
| Smiles: | Cc1c(c(nn1CC(Nc1c(C#N)c2CCCCCc2s1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3328 |
| logD: | 1.9977 |
| logSw: | -3.6913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.509 |
| InChI Key: | FPEYDOQXHPOJBQ-UHFFFAOYSA-N |