N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | 8015-6773 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | CC(C(Nc1c(C#N)c2CCCCCc2s1)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.696 |
| logD: | 1.2887 |
| logSw: | -3.0481 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.395 |
| InChI Key: | GUYGNJXJTUOCPQ-JTQLQIEISA-N |