N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-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-methoxypropyl)-2-(phenylsulfanyl)acetamide
N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-2-(phenylsulfanyl)acetamide
Compound characteristics
| Compound ID: | V024-0231 |
| Compound Name: | N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-2-(phenylsulfanyl)acetamide |
| Molecular Weight: | 525.69 |
| Molecular Formula: | C28 H36 F N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(CN(CCCOC)C(CSc2ccccc2)=O)c(N2CCN(C)CC2)n(c2cccc(c2)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1034 |
| logD: | 2.187 |
| logSw: | -4.2778 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.396 |
| InChI Key: | LDIOJIDQSQFMHR-UHFFFAOYSA-N |