methyl 3-{3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamido}benzoate
Chemical Structure Depiction of
methyl 3-{3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamido}benzoate
methyl 3-{3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamido}benzoate
Compound characteristics
| Compound ID: | P131-0344 |
| Compound Name: | methyl 3-{3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamido}benzoate |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | COC(c1cccc(c1)NC(c1cccc(c1)c1c(nccn1)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1066 |
| logD: | 4.1065 |
| logSw: | -4.2754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.85 |
| InChI Key: | YLMATCDWUIYHQL-UHFFFAOYSA-N |