4-[3-(diethylamino)propyl]-5-(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[3-(diethylamino)propyl]-5-(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)-4H-1,2,4-triazole-3-thiol
4-[3-(diethylamino)propyl]-5-(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8539 |
| Compound Name: | 4-[3-(diethylamino)propyl]-5-(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C23 H30 N4 O2 S |
| Smiles: | CCN(CC)CCCn1c(c2ccc(COc3ccc4CCCc4c3)o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.5475 |
| logD: | 2.2884 |
| logSw: | -4.2605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.731 |
| InChI Key: | RVHJHEIKAJYVPR-UHFFFAOYSA-N |