7-(2H-1,3-benzodioxol-5-yl)-2-cyclohexylpyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-2-cyclohexylpyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
7-(2H-1,3-benzodioxol-5-yl)-2-cyclohexylpyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | Y020-4852 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-2-cyclohexylpyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C21 H19 N5 O3 |
| Smiles: | C1CCC(CC1)c1nc2N=CC3=C(C=CN(C3=O)c3ccc4c(c3)OCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3169 |
| logD: | 3.3169 |
| logSw: | -3.4214 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.399 |
| InChI Key: | JPZRGLNTMIYCTN-UHFFFAOYSA-N |