2-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y504-4831 |
| Compound Name: | 2-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 540.82 |
| Molecular Formula: | C23 H15 Br Cl N5 O2 S |
| Smiles: | Cc1cc(C)nc2c1c1c(c3nc(c4ccc(COc5ccc(cc5[Cl])[Br])o4)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.2625 |
| logD: | 6.1169 |
| logSw: | -6.295 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.182 |
| InChI Key: | IDEIIQJKKYUKJK-UHFFFAOYSA-N |