6-[2-(azepan-1-yl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[2-(azepan-1-yl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[2-(azepan-1-yl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0004 |
| Compound Name: | 6-[2-(azepan-1-yl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(N4CCCCCC4)=O)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6549 |
| logD: | 1.6548 |
| logSw: | -2.0389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.745 |
| InChI Key: | QJGYRQRSPLDRBK-UHFFFAOYSA-N |