6-chloro-2-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
6-chloro-2-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
6-chloro-2-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1974 |
| Compound Name: | 6-chloro-2-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C20 H17 Cl N4 O2 S |
| Smiles: | Cn1c(COc2ccccc2)nnc1SCC1=CC(c2cc(ccc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.836 |
| logD: | 3.613 |
| logSw: | -4.2813 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.321 |
| InChI Key: | JVALONDFMFPSTG-UHFFFAOYSA-N |