5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | K906-4913 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-sulfonamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C20 H19 N3 O4 S3 |
| Smiles: | CC(C)C(c1cccs1)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5344 |
| logD: | 2.5323 |
| logSw: | -3.0266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.761 |
| InChI Key: | CXRFAYNQLATZRR-KRWDZBQOSA-N |