N-tert-butyl-N'-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-tert-butyl-N'-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-tert-butyl-N'-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G856-9881 |
| Compound Name: | N-tert-butyl-N'-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C18 H23 N5 O2 S2 |
| Smiles: | CC(C)(C)NC(Nc1nnc(SCC(N2CCCc3ccccc23)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.198 |
| logD: | 4.198 |
| logSw: | -4.127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.65 |
| InChI Key: | VOHQBMRRLOTPMY-UHFFFAOYSA-N |