methyl 4-[(2-ethyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-ethyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-sulfonyl)amino]benzoate
methyl 4-[(2-ethyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | P719-0545 |
| Compound Name: | methyl 4-[(2-ethyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-sulfonyl)amino]benzoate |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C17 H19 N3 O5 S |
| Smiles: | CCN1CCn2cc(cc2C1=O)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7653 |
| logD: | 1.7026 |
| logSw: | -2.6053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.798 |
| InChI Key: | KHOGSRBHVHNNNR-UHFFFAOYSA-N |