N-(butan-2-yl)-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-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-(butan-2-yl)-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: | V015-6316 |
| Compound Name: | N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C29 H36 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1c(C)nn(c2cccc(c2)F)c1N1CCN(CC)CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9917 |
| logD: | 2.923 |
| logSw: | -4.6599 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.106 |
| InChI Key: | PCHPDVCESGJBHZ-FQEVSTJZSA-N |