[4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholin-4-yl)methanone
Chemical Structure Depiction of
[4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholin-4-yl)methanone
[4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | V026-5563 |
| Compound Name: | [4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholin-4-yl)methanone |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.285 |
| logD: | 2.285 |
| logSw: | -2.7247 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.603 |
| InChI Key: | QKCNVNXCOAXMAK-UHFFFAOYSA-N |