8-chloro-2-({[5-(2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
8-chloro-2-({[5-(2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
8-chloro-2-({[5-(2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1732 |
| Compound Name: | 8-chloro-2-({[5-(2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 424.95 |
| Molecular Formula: | C22 H21 Cl N4 O S |
| Smiles: | CC(C)Cc1nnc(n1c1ccccc1)SCC1=CC(c2cccc(c2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0126 |
| logD: | 4.7911 |
| logSw: | -4.9978 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.503 |
| InChI Key: | HGPCGIOPEQZJHU-UHFFFAOYSA-N |