[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-8158 |
| Compound Name: | [2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C23 H26 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.445 |
| logD: | 3.3143 |
| logSw: | -3.6687 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.472 |
| InChI Key: | ORMXKFNHAMCXPT-UHFFFAOYSA-N |