3-{5-[(2,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{5-[(2,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{5-[(2,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S586-0124 |
| Compound Name: | 3-{5-[(2,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | COc1ccc(c(CN2CCn3c(C2)c(CCC(N2CCCC2)=O)nn3)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2981 |
| logD: | -0.6563 |
| logSw: | -2.0629 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.376 |
| InChI Key: | IUTNYUUECNDWPA-UHFFFAOYSA-N |