3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-6-(3-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-oxopropyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-6-(3-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-oxopropyl)-1,2,4-triazin-5(2H)-one
3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-6-(3-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-oxopropyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V021-0567 |
| Compound Name: | 3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-6-(3-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-oxopropyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 592.07 |
| Molecular Formula: | C31 H31 Cl F N5 O4 |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)[Cl])C1NN=C(CCC(N2CCN(CC2)Cc2ccc(cc2)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6479 |
| logD: | 3.6479 |
| logSw: | -4.1531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.186 |
| InChI Key: | SPNLAMNEMGTYSR-UHFFFAOYSA-N |