6-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-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-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0617 |
| Compound Name: | 6-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C19 H22 N6 O3 |
| Smiles: | COc1ccc(cc1)n1c2c(C(N(CC(N3CCCCCC3)=O)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.3212 |
| logD: | 1.3212 |
| logSw: | -1.9849 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.425 |
| InChI Key: | UCRONNRNZGJQOB-UHFFFAOYSA-N |