methyl 4-{[1-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-sulfonyl]amino}benzoate
methyl 4-{[1-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | P719-0766 |
| Compound Name: | methyl 4-{[1-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-sulfonyl]amino}benzoate |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Smiles: | CC(C)N1CCn2cc(cc2C1=O)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2102 |
| logD: | 2.1476 |
| logSw: | -2.7724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.959 |
| InChI Key: | CUQZPNRUXRWMIP-UHFFFAOYSA-N |