N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]hexanamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]hexanamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | D614-0131 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Smiles: | [H]C([H])(c1ccc(cc1)OCC)N(C(CCCCC)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5581 |
| logD: | 4.4369 |
| logSw: | -4.1162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.669 |
| InChI Key: | CCSVLVUQBFCBPY-UHFFFAOYSA-N |