methyl 4-({4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonyl}amino)benzoate
methyl 4-({4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | E734-2576 |
| Compound Name: | methyl 4-({4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonyl}amino)benzoate |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NS(c1ccc(CCN2C(c3cccnc3C2=O)=O)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1508 |
| logD: | 1.6876 |
| logSw: | -2.8571 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.202 |
| InChI Key: | NTRMBRAZGXCICU-UHFFFAOYSA-N |