N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-3827 |
| Compound Name: | N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C28 H32 F N5 O3 |
| Smiles: | CCN1CCN(CC1)c1c(CN(C2CC2)C(c2ccc3c(c2)OCO3)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.3915 |
| logD: | 2.3228 |
| logSw: | -4.2728 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.082 |
| InChI Key: | DTXMFBBVGMDQSK-UHFFFAOYSA-N |