methyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonyl}amino)benzoate
methyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | E912-0385 |
| Compound Name: | methyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonyl}amino)benzoate |
| Molecular Weight: | 481.48 |
| Molecular Formula: | C23 H19 N3 O7 S |
| Smiles: | COC(c1ccc(cc1)NS(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9607 |
| logD: | 1.4974 |
| logSw: | -2.9194 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.854 |
| InChI Key: | KYHWSCHQCYZGFT-UHFFFAOYSA-N |