1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0796 |
| Compound Name: | 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C31 H32 N6 O2 |
| Smiles: | C(Cc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9077 |
| logD: | 2.8747 |
| logSw: | -3.6143 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.618 |
| InChI Key: | HMGBIPHXHXQEJR-UHFFFAOYSA-N |