4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-5-carboxamide
4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9732 |
| Compound Name: | 4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 407.94 |
| Molecular Formula: | C17 H18 Cl N5 O S2 |
| Smiles: | CCn1c(C(NC(Nc2c(C#N)c3CCC(C)Cc3s2)=S)=O)c(cn1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1328 |
| logD: | 3.0249 |
| logSw: | -4.5906 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.965 |
| InChI Key: | YMQKBIQPDRVDIM-SECBINFHSA-N |