N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V004-4498 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C28 H34 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(C(C)C)C(c2ccc3c(c2)OCO3)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.4879 |
| logD: | 2.4192 |
| logSw: | -4.2899 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.522 |
| InChI Key: | JRDKDMYFQWFERD-UHFFFAOYSA-N |