3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5541 |
| Compound Name: | 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C16 H17 Cl N6 O3 S |
| Smiles: | CCn1c(COc2ccc(c(C)c2)[Cl])nnc1SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3618 |
| logD: | 3.3618 |
| logSw: | -3.4696 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.728 |
| InChI Key: | RYBJOUCZDRJKRI-UHFFFAOYSA-N |