7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylpropyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylpropyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylpropyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | J108-0604 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylpropyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | CC(C)Cc1nc2nccc(c3ccc4c(c3)OCCCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8346 |
| logD: | 2.8346 |
| logSw: | -3.1013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.358 |
| InChI Key: | IEGIDVKQHRLJQV-UHFFFAOYSA-N |