6-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]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-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0240 |
| Compound Name: | 6-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C23 H21 N7 O2 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(Cc4nc(c5ccc(C)c(C)c5)no4)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0651 |
| logD: | 4.0651 |
| logSw: | -4.0545 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | KAIBMRJSAHWSGO-UHFFFAOYSA-N |