2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | P573-2402 |
| Compound Name: | 2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | COc1ccc(CNC(CN2C(N3C=CC(=NC3=N2)N2CCCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9552 |
| logD: | 1.9548 |
| logSw: | -2.5129 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.402 |
| InChI Key: | CHBYCAZVSWGOIQ-UHFFFAOYSA-N |