N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2-chloro-4-methylphenyl)urea
Chemical Structure Depiction of
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2-chloro-4-methylphenyl)urea
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2-chloro-4-methylphenyl)urea
Compound characteristics
| Compound ID: | E002-0384 |
| Compound Name: | N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2-chloro-4-methylphenyl)urea |
| Molecular Weight: | 365.88 |
| Molecular Formula: | C16 H20 Cl N5 O S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(Nc1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0097 |
| logD: | 5.0094 |
| logSw: | -5.1061 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.987 |
| InChI Key: | LMENNTYTZFDHRW-UHFFFAOYSA-N |