4-[3-(diethylamino)propyl]-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[3-(diethylamino)propyl]-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-[3-(diethylamino)propyl]-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8570 |
| Compound Name: | 4-[3-(diethylamino)propyl]-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C16 H27 N7 O2 S |
| Smiles: | CCN(CC)CCCn1c(CCn2c(C)c(c(C)n2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.1205 |
| logD: | -1.1964 |
| logSw: | -1.0352 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.663 |
| InChI Key: | IBGPBWSAWJBMON-UHFFFAOYSA-N |