3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one
3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V009-4012 |
| Compound Name: | 3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 561.59 |
| Molecular Formula: | C30 H29 F2 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)F)C1NN=C(CCC(N2CCN(CC2)c2ccc(cc2)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5552 |
| logD: | 3.5552 |
| logSw: | -3.8438 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.906 |
| InChI Key: | FUJZNRHTANCKLU-UHFFFAOYSA-N |