N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9706 |
| Compound Name: | N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C16 H17 N5 O S2 |
| Smiles: | CCn1cc(cn1)C(NC(Nc1c(C#N)c2CCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8025 |
| logD: | 1.862 |
| logSw: | -3.2049 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.513 |
| InChI Key: | ZPVFPXHAGRDGRL-UHFFFAOYSA-N |