5-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6091 |
| Compound Name: | 5-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 443.53 |
| Molecular Formula: | C20 H25 N7 O3 S |
| Smiles: | Cc1cc(nn1Cc1ccc(cc1)c1nnc(n1CCCN1CCOCC1)S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3786 |
| logD: | 1.0342 |
| logSw: | -1.8213 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.358 |
| InChI Key: | XUXYCMOXDVTVAE-UHFFFAOYSA-N |