2-[2-({4-methyl-5-[(9-oxoacridin-10(9H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoic acid
Chemical Structure Depiction of
2-[2-({4-methyl-5-[(9-oxoacridin-10(9H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoic acid
2-[2-({4-methyl-5-[(9-oxoacridin-10(9H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | 8017-4057 |
| Compound Name: | 2-[2-({4-methyl-5-[(9-oxoacridin-10(9H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoic acid |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H21 N5 O4 S |
| Smiles: | Cn1c(CN2c3ccccc3C(c3ccccc23)=O)nnc1SCC(Nc1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4184 |
| logD: | -0.9945 |
| logSw: | -3.9723 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.352 |
| InChI Key: | BUOLEHDNUWIXEA-UHFFFAOYSA-N |