6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5(2H)-one
6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V018-4713 |
| Compound Name: | 6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 491.9 |
| Molecular Formula: | C23 H21 Cl F3 N5 O2 |
| Salt: | not_available |
| Smiles: | C(CC(N1CCN(CC1)c1cccc(c1)[Cl])=O)C1C(N=C(c2ccc(cc2)C(F)(F)F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6012 |
| logD: | 3.6012 |
| logSw: | -4.0144 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.961 |
| InChI Key: | AQHPTADAEXRSEE-UHFFFAOYSA-N |