3-[4-(cyclobutylmethoxy)-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-(cyclobutylmethoxy)-3-methoxyphenyl]-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one
3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V017-9842 |
| Compound Name: | 3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C28 H32 F N5 O4 |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCC1CCC1)C1NN=C(CCC(N2CCN(CC2)c2ccc(cc2)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0242 |
| logD: | 3.0242 |
| logSw: | -3.4926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.429 |
| InChI Key: | UTENNNGJBCVVGM-UHFFFAOYSA-N |