4-({[5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-2(1H)-one
Chemical Structure Depiction of
4-({[5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-2(1H)-one
4-({[5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-2(1H)-one
Compound characteristics
| Compound ID: | 8018-9382 |
| Compound Name: | 4-({[5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-2(1H)-one |
| Molecular Weight: | 453.36 |
| Molecular Formula: | C21 H17 Br N4 O S |
| Smiles: | C=CCn1c(c2cccc(c2)[Br])nnc1SCC1=CC(Nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1649 |
| logD: | 5.1647 |
| logSw: | -5.2202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.04 |
| InChI Key: | DCURNQBQRBZWTF-UHFFFAOYSA-N |