N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(4-fluorophenyl)urea
Chemical Structure Depiction of
N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(4-fluorophenyl)urea
N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(4-fluorophenyl)urea
Compound characteristics
Compound ID: | G856-9790 |
Compound Name: | N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(4-fluorophenyl)urea |
Molecular Weight: | 409.5 |
Molecular Formula: | C17 H20 F N5 O2 S2 |
Smiles: | C1CCCN(CC1)C(CSc1nnc(NC(Nc2ccc(cc2)F)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 4.1629 |
logD: | 4.1627 |
logSw: | -4.0609 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.899 |
InChI Key: | WGZWUGCUULMULQ-UHFFFAOYSA-N |