N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(4-methylphenyl)urea
Chemical Structure Depiction of
N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(4-methylphenyl)urea
N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(4-methylphenyl)urea
Compound characteristics
| Compound ID: | G856-9746 |
| Compound Name: | N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(4-methylphenyl)urea |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C18 H23 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(Nc1nnc(SCC(N2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5572 |
| logD: | 4.557 |
| logSw: | -4.1304 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.899 |
| InChI Key: | UQJYECKQKGRMOO-UHFFFAOYSA-N |