1-{3-[4-(4-methoxyphenyl)piperazin-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-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0793 |
| Compound Name: | 1-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C31 H32 N6 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3306 |
| logD: | 3.3302 |
| logSw: | -3.8131 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.881 |
| InChI Key: | RHJCYUPZDRNRCO-UHFFFAOYSA-N |