6-{[5-(octahydroquinoline-1(2H)-sulfonyl)thiophen-2-yl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[5-(octahydroquinoline-1(2H)-sulfonyl)thiophen-2-yl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[5-(octahydroquinoline-1(2H)-sulfonyl)thiophen-2-yl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | E786-2015 |
| Compound Name: | 6-{[5-(octahydroquinoline-1(2H)-sulfonyl)thiophen-2-yl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | C1CCC2C(C1)CCCN2S(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8478 |
| logD: | 1.8478 |
| logSw: | -2.6572 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.117 |
| InChI Key: | HVWOTCZRFOLDHH-UHFFFAOYSA-N |