methyl 4-({3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carbonyl}amino)benzoate
methyl 4-({3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | S586-0837 |
| Compound Name: | methyl 4-({3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carbonyl}amino)benzoate |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCn2c(C1)c(CCC(N1CCCC1)=O)nn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1683 |
| logD: | 1.1683 |
| logSw: | -2.1167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.112 |
| InChI Key: | JXCKPNNXFBPRBX-UHFFFAOYSA-N |