N-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-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: | M142-0044 |
| Compound Name: | N-(4-ethylphenyl)-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: | 439.56 |
| Molecular Formula: | C20 H21 N7 O S2 |
| Smiles: | CCc1ccc(cc1)NC(CSc1nnc2c3c(ncn12)nc(N1CCCC1)s3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.137 |
| logD: | 4.137 |
| logSw: | -3.9033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.894 |
| InChI Key: | OMGMRMZPDJYBPX-UHFFFAOYSA-N |