6-fluoro-2-({[4-methyl-5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
6-fluoro-2-({[4-methyl-5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
6-fluoro-2-({[4-methyl-5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-2233 |
| Compound Name: | 6-fluoro-2-({[4-methyl-5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 346.42 |
| Molecular Formula: | C17 H19 F N4 O S |
| Smiles: | CC(C)Cc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.435 |
| logD: | 3.2119 |
| logSw: | -3.876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.093 |
| InChI Key: | XNTGOVZOTJZITO-UHFFFAOYSA-N |