dimethyl 5-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzene-1,3-dicarboxylate
dimethyl 5-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C300-0020 |
| Compound Name: | dimethyl 5-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 593.45 |
| Molecular Formula: | C25 H25 Br N2 O8 S |
| Smiles: | COC(c1cc(cc(c1)NC(CCS(c1cc2c(CCN2C(C2CC2)=O)cc1[Br])(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8948 |
| logD: | 3.8945 |
| logSw: | -4.1184 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.702 |
| InChI Key: | AUFKLXYVDWLGBZ-UHFFFAOYSA-N |