7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | Y042-1874 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C25 H23 N5 O2 |
| Smiles: | C(Cc1c[nH]c2ccccc12)Cc1nc2nccc(c3ccc4c(c3)OCCCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7995 |
| logD: | 3.7995 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.957 |
| InChI Key: | YMCIGHFYHBKYEH-UHFFFAOYSA-N |