6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{4-[(2-fluorophenyl)methoxy]phenyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{4-[(2-fluorophenyl)methoxy]phenyl}-1,2,4-triazin-5(2H)-one
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{4-[(2-fluorophenyl)methoxy]phenyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V025-2176 |
| Compound Name: | 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{4-[(2-fluorophenyl)methoxy]phenyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C30 H30 F N5 O3 |
| Salt: | not_available |
| Smiles: | C(CC(N1CCN(CC1)Cc1ccccc1)=O)C1C(N=C(c2ccc(cc2)OCc2ccccc2F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3152 |
| logD: | 2.374 |
| logSw: | -3.3268 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.469 |
| InChI Key: | FTRHAFWVCKXRSG-UHFFFAOYSA-N |