6-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0074 |
| Compound Name: | 6-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 365.82 |
| Molecular Formula: | C19 H16 Cl N5 O |
| Smiles: | Cc1ccc(Cn2c3c(C(N(Cc4cccc(c4)[Cl])C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1016 |
| logD: | 3.1015 |
| logSw: | -3.2586 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.022 |
| InChI Key: | OXZLBJUMPWMDSQ-UHFFFAOYSA-N |