6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-5(2H)-one
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V022-4816 |
| Compound Name: | 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C27 H33 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)COc1ccc(cc1)C1NN=C(CCC(N2CCN(CC2)Cc2ccccc2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1081 |
| logD: | 2.1669 |
| logSw: | -3.316 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.74 |
| InChI Key: | CXQZALYCRATDBQ-UHFFFAOYSA-N |