N-(3-fluorophenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-1131 |
| Compound Name: | N-(3-fluorophenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C20 H27 F N6 O2 S |
| Smiles: | CN1CCN(CCNC(CCCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.8099 |
| logD: | 0.1424 |
| logSw: | -2.2868 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.829 |
| InChI Key: | IGGKCLFCDHWKHL-UHFFFAOYSA-N |