2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V018-9812 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2822 |
| logD: | 3.2822 |
| logSw: | -3.3972 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.101 |
| InChI Key: | SIMSWOZTWBFJHB-UHFFFAOYSA-N |