5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine
5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | K781-1901 |
| Compound Name: | 5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 474.38 |
| Molecular Formula: | C20 H20 Br N5 O2 S |
| Smiles: | C1CCCN(CC1)c1ccc(cc1[N+]([O-])=O)c1nnc(Nc2ccc(cc2)[Br])s1 |
| Stereo: | ACHIRAL |
| logP: | 6.5707 |
| logD: | 6.5707 |
| logSw: | -6.189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.987 |
| InChI Key: | DMPOKHXAXKBLCF-UHFFFAOYSA-N |