2-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
2-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Compound characteristics
| Compound ID: | E020-0306 |
| Compound Name: | 2-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one |
| Molecular Weight: | 385.85 |
| Molecular Formula: | C19 H20 Cl N5 O2 |
| Smiles: | CC1=NN(CC(N2CCN(CC2)c2ccc(cc2)[Cl])=O)C(c2cccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.433 |
| logD: | 2.4329 |
| logSw: | -2.8445 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.951 |
| InChI Key: | MZDFLXHEJSUBAA-UHFFFAOYSA-N |