N-[(3-methoxyphenyl)methyl]-N'-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N'-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-[(3-methoxyphenyl)methyl]-N'-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | L785-0055 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N'-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C20 H18 N6 O3 S2 |
| Smiles: | COc1cccc(CNC(Nc2nnc(SCC3C(Nc4ccccc4N=3)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3324 |
| logD: | 3.3323 |
| logSw: | -3.7587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.932 |
| InChI Key: | UDKWHQKNABWGDB-UHFFFAOYSA-N |