(4-ethylpiperazin-1-yl)[2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V008-1618 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[4-(3-methylphenyl)-5-(4-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(c1ccccc1CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2156 |
| logD: | 5.0394 |
| logSw: | -4.9783 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.279 |
| InChI Key: | AYBAAQXDUDZKQP-UHFFFAOYSA-N |