N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y509-8955 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 479.35 |
| Molecular Formula: | C18 H16 Cl2 N8 O2 S |
| Smiles: | CC(Cn1cc(cn1)[N+]([O-])=O)c1nnc(Nc2ccn(Cc3c(cccc3[Cl])[Cl])n2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1962 |
| logD: | 4.1957 |
| logSw: | -4.348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.539 |
| InChI Key: | URTQYBTXYZICLC-NSHDSACASA-N |