N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9708 |
| Compound Name: | N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 373.5 |
| Molecular Formula: | C17 H19 N5 O S2 |
| Smiles: | CCn1cc(cn1)C(NC(Nc1c(C#N)c2CCCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2985 |
| logD: | 2.358 |
| logSw: | -3.586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.844 |
| InChI Key: | CIJIFOGTSPQOQI-UHFFFAOYSA-N |