3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V021-0533 |
| Compound Name: | 3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C27 H36 N6 O4 |
| Salt: | not_available |
| Smiles: | C1CC(C1)COc1ccc(cc1)C1NN=C(CCC(N2CCN(CC2)CC(N2CCCC2)=O)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0912 |
| logD: | 0.15 |
| logSw: | -2.1124 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.75 |
| InChI Key: | QQMJWFNUBMLLCQ-UHFFFAOYSA-N |