N-(3,4-dimethoxyphenyl)-N'-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N'-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(3,4-dimethoxyphenyl)-N'-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | L785-0002 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N'-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C20 H18 N6 O4 S2 |
| Smiles: | COc1ccc(cc1OC)NC(Nc1nnc(SCC2C(Nc3ccccc3N=2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5535 |
| logD: | 3.5534 |
| logSw: | -3.8731 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.326 |
| InChI Key: | OBWJWFMSDLPTQR-UHFFFAOYSA-N |