1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-methylpropyl)[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-methylpropyl)[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-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-1038 |
| Compound Name: | 1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 507.04 |
| Molecular Formula: | C27 H31 Cl N6 O2 |
| Smiles: | CC(C)CN1C(c2ccccc2n2c(CCC(N3CCN(CC3)c3cc(ccc3C)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0494 |
| logD: | 4.0494 |
| logSw: | -4.377 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.33 |
| InChI Key: | YYEKVCFBGZQIEX-UHFFFAOYSA-N |