4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0638 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 555.08 |
| Molecular Formula: | C31 H31 Cl N6 O2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6335 |
| logD: | 4.6334 |
| logSw: | -4.7646 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.577 |
| InChI Key: | WRKTYIMYPGDWFD-QFIPXVFZSA-N |