4-[3-(diethylamino)propyl]-5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[3-(diethylamino)propyl]-5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
4-[3-(diethylamino)propyl]-5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8516 |
| Compound Name: | 4-[3-(diethylamino)propyl]-5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C21 H29 N7 O2 S |
| Smiles: | CCN(CC)CCCn1c(c2cccc(Cn3c(C)c(c(C)n3)[N+]([O-])=O)c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.7942 |
| logD: | 2.7942 |
| logSw: | -3.0591 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.437 |
| InChI Key: | RDTJWUBGPQCFRJ-UHFFFAOYSA-N |