3-[(4-methylphenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(4-methylphenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0007 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 443.51 |
| Molecular Formula: | C24 H25 N7 O2 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(N4CCN(CC4)c4ccccc4)=O)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7942 |
| logD: | 1.7941 |
| logSw: | -2.0103 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.675 |
| InChI Key: | ZNJMSSQNDRGMKV-UHFFFAOYSA-N |