2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8010-6585 |
| Compound Name: | 2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 387.29 |
| Molecular Formula: | C15 H16 Cl2 N4 O2 S |
| Smiles: | Cn1c(c2ccc(cc2[Cl])[Cl])nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2711 |
| logD: | 2.271 |
| logSw: | -3.3655 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.352 |
| InChI Key: | JGTFKFWQEYNBER-UHFFFAOYSA-N |