N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2,5-dimethoxyphenyl)urea
Chemical Structure Depiction of
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2,5-dimethoxyphenyl)urea
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2,5-dimethoxyphenyl)urea
Compound characteristics
| Compound ID: | E002-0381 |
| Compound Name: | N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2,5-dimethoxyphenyl)urea |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C17 H23 N5 O3 S |
| Smiles: | COc1ccc(c(c1)NC(Nc1nnc(N2CCCCCC2)s1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9693 |
| logD: | 3.9692 |
| logSw: | -4.0927 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.161 |
| InChI Key: | VACBASWDXIKXKO-UHFFFAOYSA-N |