[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-8217 |
| Compound Name: | [2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C24 H28 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1CC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7898 |
| logD: | 3.6136 |
| logSw: | -3.7983 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.532 |
| InChI Key: | MYQHNIFYWFDSJF-UHFFFAOYSA-N |