(4-ethylpiperazin-1-yl)[4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V024-8120 |
| Compound Name: | (4-ethylpiperazin-1-yl)[4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C29 H30 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2c2ccc(C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.988 |
| logD: | 3.8118 |
| logSw: | -4.116 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.978 |
| InChI Key: | BTSBAIHXHMBXEQ-UHFFFAOYSA-N |