N-(3-fluorophenyl)-5-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-1099 |
| Compound Name: | N-(3-fluorophenyl)-5-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C20 H27 F N6 O3 S |
| Smiles: | CN1CCN(CCCNC(COCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.3108 |
| logD: | -0.8937 |
| logSw: | -2.2823 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.264 |
| InChI Key: | JQWHJNLKSSIALQ-UHFFFAOYSA-N |