6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(4-butoxyphenyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(4-butoxyphenyl)-1,2,4-triazin-5(2H)-one
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(4-butoxyphenyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V023-1110 |
| Compound Name: | 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(4-butoxyphenyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C27 H33 N5 O3 |
| Smiles: | CCCCOc1ccc(cc1)C1NN=C(CCC(N2CCN(CC2)Cc2ccccc2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2582 |
| logD: | 2.3169 |
| logSw: | -3.3063 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.659 |
| InChI Key: | WWNFWXAJCJPMFV-UHFFFAOYSA-N |