N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-2-(phenylsulfanyl)acetamide
Chemical Structure Depiction of
N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-2-(phenylsulfanyl)acetamide
N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-2-(phenylsulfanyl)acetamide
Compound characteristics
| Compound ID: | V024-1020 |
| Compound Name: | N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-2-(phenylsulfanyl)acetamide |
| Molecular Weight: | 523.72 |
| Molecular Formula: | C29 H38 F N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CCN(Cc1c(C)nn(c2cccc(c2)F)c1N1CCN(C)CC1)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4768 |
| logD: | 3.5604 |
| logSw: | -5.3676 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.053 |
| InChI Key: | HBQSSLKCUAUSDG-UHFFFAOYSA-N |