5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8536 |
| Compound Name: | 5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C16 H25 N7 O3 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2CCCN2CCOCC2)S)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.0234 |
| logD: | -0.4264 |
| logSw: | -0.0641 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.871 |
| InChI Key: | LEOVGYVIBSCAEX-UHFFFAOYSA-N |