ethyl 3-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzoate
ethyl 3-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzoate
Compound characteristics
| Compound ID: | C300-0070 |
| Compound Name: | ethyl 3-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzoate |
| Molecular Weight: | 549.44 |
| Molecular Formula: | C24 H25 Br N2 O6 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCS(c1cc2c(CCN2C(C2CC2)=O)cc1[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1879 |
| logD: | 4.1879 |
| logSw: | -4.1795 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.108 |
| InChI Key: | TXYJPSOHJZGZID-UHFFFAOYSA-N |