2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane
Chemical Structure Depiction of
2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane
2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane
Compound characteristics
| Compound ID: | SA46-1602 |
| Compound Name: | 2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C16 H25 F2 N5 O3 S |
| Smiles: | Cc1c(cnn1C(F)F)S(N1CC2(CC(CO2)N2CCN(C)CC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3801 |
| logD: | -1.0193 |
| logSw: | -1.0526 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.77 |
| InChI Key: | NVDNMFNOKNRNBC-CYBMUJFWSA-N |