(4-methylpiperazin-1-yl){4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}methanone
Chemical Structure Depiction of
(4-methylpiperazin-1-yl){4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}methanone
(4-methylpiperazin-1-yl){4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | Y509-5724 |
| Compound Name: | (4-methylpiperazin-1-yl){4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}methanone |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C15 H18 N6 O3 |
| Smiles: | CN1CCN(CC1)C(c1ccc(Cn2cnc(n2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.284 |
| logD: | 0.1533 |
| logSw: | -1.6253 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.759 |
| InChI Key: | KGUFGHSPVFJBQB-UHFFFAOYSA-N |