5-({[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl}methyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-({[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl}methyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-({[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl}methyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F499-0557 |
Compound Name: | 5-({[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl}methyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 477.62 |
Molecular Formula: | C22 H28 F N5 O2 S2 |
Smiles: | C1CCC(CC1)N1CCN(CC1)C(CSCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 3.437 |
logD: | 3.3252 |
logSw: | -3.6892 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.543 |
InChI Key: | QBWUCEDBNLHHDB-UHFFFAOYSA-N |