1-(3-{4-[2-(4-chlorophenoxy)ethyl]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-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0823 |
| Compound Name: | 1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 585.11 |
| Molecular Formula: | C32 H33 Cl N6 O3 |
| Smiles: | C(Cc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)C(N1CCN(CC1)CCOc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.783 |
| logD: | 3.768 |
| logSw: | -4.3732 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.014 |
| InChI Key: | BHKFIHHTXHNCPU-UHFFFAOYSA-N |