4-[(4-methylanilino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-methylanilino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
4-[(4-methylanilino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
Compound ID: | Y020-6986 |
Compound Name: | 4-[(4-methylanilino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
Molecular Weight: | 467.55 |
Molecular Formula: | C25 H21 N7 O S |
Smiles: | Cc1ccc(cc1)N/C=C1/C(CSc2nnnn2c2ccccc2)=NN(C1=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.7038 |
logD: | 4.6387 |
logSw: | -4.3698 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.568 |
InChI Key: | MUQWVZMKBMCDNX-UHFFFAOYSA-N |