7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | J108-0602 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | COCc1nc2nccc(c3ccc4c(c3)OCCCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 1.1622 |
| logD: | 1.1621 |
| logSw: | -1.5983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.782 |
| InChI Key: | SIABYTUVSSYCLT-UHFFFAOYSA-N |