ethyl 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
Chemical Structure Depiction of
ethyl 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
ethyl 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
Compound characteristics
| Compound ID: | D298-0102 |
| Compound Name: | ethyl 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H21 N5 O3 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3ccccc3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2428 |
| logD: | 2.1996 |
| logSw: | -2.6777 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | IPQBVESYKAFWFL-UHFFFAOYSA-N |