1-(morpholin-4-yl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(morpholin-4-yl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(morpholin-4-yl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V015-2781 |
| Compound Name: | 1-(morpholin-4-yl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | C1COCCN1C(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6958 |
| logD: | 2.6958 |
| logSw: | -3.0208 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.395 |
| InChI Key: | YRCPEEQRECXZCW-UHFFFAOYSA-N |