1-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0448 |
| Compound Name: | 1-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 541.05 |
| Molecular Formula: | C30 H29 Cl N6 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(N4CCN(CC4)c4cccc(c4)[Cl])=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1346 |
| logD: | 4.1346 |
| logSw: | -4.4101 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.359 |
| InChI Key: | PDNAGFZYDYYOMS-UHFFFAOYSA-N |