4-{1-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{1-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
4-{1-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-3926 |
| Compound Name: | 4-{1-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C24 H25 N5 O S |
| Smiles: | C/C(=C1\C(c2ccccc2)=NN(C1=O)c1ccccc1)NCCSCc1c(C)[nH]cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6269 |
| logD: | 3.2759 |
| logSw: | -3.8333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.198 |
| InChI Key: | IGZPPYRJOGIPII-UHFFFAOYSA-N |