5-[(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F736-0776 |
Compound Name: | 5-[(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 481.36 |
Molecular Formula: | C18 H14 Br F N4 O2 S2 |
Smiles: | C(c1cccc(c1)[Br])NC(CSc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 3.9364 |
logD: | 3.9356 |
logSw: | -4.0728 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.395 |
InChI Key: | XAOFYGYXLIKGPH-UHFFFAOYSA-N |