N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-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: | M142-0018 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-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: | 455.52 |
| Molecular Formula: | C19 H17 N7 O3 S2 |
| Smiles: | C1CCN(C1)c1nc2c(c3nnc(n3cn2)SCC(Nc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0394 |
| logD: | 3.0394 |
| logSw: | -3.3329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.009 |
| InChI Key: | REIHRAHDWVVQPZ-UHFFFAOYSA-N |