methyl 4-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzoate
methyl 4-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzoate
Compound characteristics
| Compound ID: | C300-0194 |
| Compound Name: | methyl 4-{3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]propanamido}benzoate |
| Molecular Weight: | 535.41 |
| Molecular Formula: | C23 H23 Br N2 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CCS(c1cc2c(CCN2C(C2CC2)=O)cc1[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4967 |
| logD: | 3.4958 |
| logSw: | -3.891 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.528 |
| InChI Key: | ZYMAYPUUHMJDAQ-UHFFFAOYSA-N |