methyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-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]thiophene-2-sulfonyl}amino)benzoate
methyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | E786-2039 |
| Compound Name: | methyl 4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonyl}amino)benzoate |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C20 H15 N3 O6 S2 |
| Smiles: | COC(c1ccc(cc1)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1598 |
| logD: | 2.0463 |
| logSw: | -2.9078 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.242 |
| InChI Key: | FGIAJEGBVINDTH-UHFFFAOYSA-N |