N-(4-fluorophenyl)-5-{[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-5-{[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-fluorophenyl)-5-{[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0649 |
| Compound Name: | N-(4-fluorophenyl)-5-{[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C20 H27 F N6 O2 S2 |
| Smiles: | CN1CCN(CCCNC(CSCc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.2127 |
| logD: | 0.0082 |
| logSw: | -2.2265 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.829 |
| InChI Key: | FGFRXGRIJTWLEI-UHFFFAOYSA-N |