6-ethoxy-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
6-ethoxy-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-1,3-benzothiazole
6-ethoxy-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | Y501-9621 |
| Compound Name: | 6-ethoxy-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C13 H12 N4 O3 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5218 |
| logD: | 3.5218 |
| logSw: | -3.6502 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.459 |
| InChI Key: | ONJPDZGHSIGACW-UHFFFAOYSA-N |