5-({[(3-methylquinoxalin-2-yl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-({[(3-methylquinoxalin-2-yl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-({[(3-methylquinoxalin-2-yl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8018-3711 |
| Compound Name: | 5-({[(3-methylquinoxalin-2-yl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 287.34 |
| Molecular Formula: | C13 H13 N5 O S |
| Smiles: | Cc1c(CSCC2NC(NN=2)=O)nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1551 |
| logD: | 1.7744 |
| logSw: | -2.5877 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.202 |
| InChI Key: | QBLWVHMBZWOBEV-UHFFFAOYSA-N |