N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0954 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]-beta-alaninamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C21 H26 N4 O6 S2 |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2893 |
| logD: | -0.29 |
| logSw: | -2.1971 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 133.173 |
| InChI Key: | UPLBIQWUGKJQDK-UHFFFAOYSA-N |