5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-2048 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C22 H19 N3 O4 S2 |
| Smiles: | C1CCc2c(C1)cccc2NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1736 |
| logD: | 3.1726 |
| logSw: | -3.6399 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.291 |
| InChI Key: | DCMZUNHHILTNSP-UHFFFAOYSA-N |