7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methoxyphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methoxyphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methoxyphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | J108-0609 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methoxyphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | COc1ccc(Cc2nc3nccc(c4ccc5c(c4)OCCCO5)n3n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0058 |
| logD: | 3.0058 |
| logSw: | -3.0869 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.63 |
| InChI Key: | MIQKPWZQVKGBIU-UHFFFAOYSA-N |