2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-0836 |
| Compound Name: | 2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C25 H21 Cl N4 O2 S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1cc(ccc1OC)c1nc2c3c4CCCc4sc3N=Cn2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.4087 |
| logD: | 6.4086 |
| logSw: | -6.6283 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.8 |
| InChI Key: | WTBBUQUDPYYLIG-UHFFFAOYSA-N |