7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | Y042-1877 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C24 H21 N5 O2 |
| Smiles: | C1COc2ccc(cc2OC1)c1ccnc2nc(CCc3c[nH]c4ccccc34)nn12 |
| Stereo: | ACHIRAL |
| logP: | 3.5909 |
| logD: | 3.5909 |
| logSw: | -3.7736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.957 |
| InChI Key: | MRSLQJYLTYMJRO-UHFFFAOYSA-N |