2-[(4-chloro-3,5-dimethylphenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(4-chloro-3,5-dimethylphenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(4-chloro-3,5-dimethylphenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-3625 |
| Compound Name: | 2-[(4-chloro-3,5-dimethylphenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 384.89 |
| Molecular Formula: | C19 H17 Cl N4 O S |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCc1nc2c3c4CCCc4sc3N=Cn2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8497 |
| logD: | 4.8496 |
| logSw: | -5.2533 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.432 |
| InChI Key: | FBUHHOVUSXYSDL-UHFFFAOYSA-N |