1-{3-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0814 |
| Compound Name: | 1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 555.08 |
| Molecular Formula: | C31 H31 Cl N6 O2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CCc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5093 |
| logD: | 4.5093 |
| logSw: | -4.6968 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.037 |
| InChI Key: | JUDLIKSWCHKWGS-UHFFFAOYSA-N |