4-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9751 |
| Compound Name: | 4-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 407.94 |
| Molecular Formula: | C17 H18 Cl N5 O S2 |
| Smiles: | Cc1c(c(C(NC(Nc2c(C#N)c3CCCCCc3s2)=S)=O)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8129 |
| logD: | 2.705 |
| logSw: | -4.8635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.211 |
| InChI Key: | HBPMZJFNPYAVHE-UHFFFAOYSA-N |