dimethyl 5-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C137-1297 |
| Compound Name: | dimethyl 5-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 525.37 |
| Molecular Formula: | C21 H21 Br N2 O7 S |
| Smiles: | CCC(N1CCc2cc(c(cc12)S(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9759 |
| logD: | 3.7174 |
| logSw: | -4.1377 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.659 |
| InChI Key: | SKJQCHOPQJANCQ-UHFFFAOYSA-N |