2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P032-3056 |
| Compound Name: | 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C23 H21 N5 O3 |
| Smiles: | CC1=NC(=CC2=NN(CC(N3CCc4ccccc34)=O)C(N12)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7597 |
| logD: | 2.7518 |
| logSw: | -3.0697 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.956 |
| InChI Key: | DFAIRRLXIZOIQO-UHFFFAOYSA-N |