N-[4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonyl}amino)phenyl]acetamide
Chemical Structure Depiction of
N-[4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonyl}amino)phenyl]acetamide
N-[4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonyl}amino)phenyl]acetamide
Compound characteristics
| Compound ID: | E786-2025 |
| Compound Name: | N-[4-({5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonyl}amino)phenyl]acetamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C20 H16 N4 O5 S2 |
| Smiles: | CC(Nc1ccc(cc1)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2703 |
| logD: | 1.2669 |
| logSw: | -2.456 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.33 |
| InChI Key: | XUXCWVBOTBZWGD-UHFFFAOYSA-N |