1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-{3-[(propan-2-yl)oxy]propyl}[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-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-1205 |
| Compound Name: | 1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 581.12 |
| Molecular Formula: | C30 H37 Cl N6 O4 |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c(CCC(N3CCN(CC3)CCOc3ccc(cc3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7501 |
| logD: | 2.7351 |
| logSw: | -3.6364 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.486 |
| InChI Key: | HVPTYXZUMGGPOB-UHFFFAOYSA-N |