N-[(4-methoxyphenyl)methyl]-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
N-[(4-methoxyphenyl)methyl]-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M142-0064 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C20 H21 N7 O2 S2 |
| Smiles: | COc1ccc(CNC(CSc2nnc3c4c(ncn23)nc(N2CCCC2)s4)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.87 |
| logD: | 2.87 |
| logSw: | -3.2709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.76 |
| InChI Key: | OAQYVWJUARXUHW-UHFFFAOYSA-N |