4-nitro-N-(3-{3-[(propan-2-yl)oxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)benzamide
Chemical Structure Depiction of
4-nitro-N-(3-{3-[(propan-2-yl)oxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)benzamide
4-nitro-N-(3-{3-[(propan-2-yl)oxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)benzamide
Compound characteristics
| Compound ID: | V026-1561 |
| Compound Name: | 4-nitro-N-(3-{3-[(propan-2-yl)oxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)benzamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2cccs2)n(c2cccc(c2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3403 |
| logD: | 5.3403 |
| logSw: | -5.3839 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.984 |
| InChI Key: | OIYGEUGPBHHHDB-UHFFFAOYSA-N |