N-(1,2,3-benzothiadiazol-5-yl)-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-(1,2,3-benzothiadiazol-5-yl)-N'-[3-(methylsulfanyl)phenyl]urea
N-(1,2,3-benzothiadiazol-5-yl)-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | D003-1098 |
| Compound Name: | N-(1,2,3-benzothiadiazol-5-yl)-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C14 H12 N4 O S2 |
| Smiles: | CSc1cccc(c1)NC(Nc1ccc2c(c1)nns2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1273 |
| logD: | 4.1273 |
| logSw: | -4.2779 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.123 |
| InChI Key: | YQXFYUJZHAWSHB-UHFFFAOYSA-N |