({4-ethyl-5-[(9-oxoacridin-10(9H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({4-ethyl-5-[(9-oxoacridin-10(9H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({4-ethyl-5-[(9-oxoacridin-10(9H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | 8017-7502 |
| Compound Name: | ({4-ethyl-5-[(9-oxoacridin-10(9H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | CCn1c(CN2c3ccccc3C(c3ccccc23)=O)nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1357 |
| logD: | -1.1568 |
| logSw: | -2.8351 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.062 |
| InChI Key: | VDFZICVVGYZNTQ-UHFFFAOYSA-N |