5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(5-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(5-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-amine
5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(5-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | K781-1910 |
| Compound Name: | 5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(5-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C21 H22 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1Nc1nnc(c2ccc(c(c2)[N+]([O-])=O)N2CCCCCC2)s1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4534 |
| logD: | 6.4534 |
| logSw: | -6.3812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.29 |
| InChI Key: | BMWCBLYIYQEACI-UHFFFAOYSA-N |