4-[(cyclopentylamino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(cyclopentylamino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
4-[(cyclopentylamino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y020-6988 |
| Compound Name: | 4-[(cyclopentylamino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 445.55 |
| Molecular Formula: | C23 H23 N7 O S |
| Smiles: | C1CCC(C1)N/C=C1/C(CSc2nnnn2c2ccccc2)=NN(C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8366 |
| logD: | 3.8052 |
| logSw: | -4.0085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.982 |
| InChI Key: | RNKGAYRYDLTNAP-UHFFFAOYSA-N |