N-(2,5-dimethoxyphenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2,5-dimethoxyphenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M447-0034 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C20 H21 N7 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CN1C(N2C=Nc3c(C2=N1)sc(n3)N1CCCC1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5445 |
| logD: | 2.5429 |
| logSw: | -3.0953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.528 |
| InChI Key: | MAWCSFSPTIVYBA-UHFFFAOYSA-N |