methyl 4-[3-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)propanamido]benzoate
methyl 4-[3-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | C183-0149 |
| Compound Name: | methyl 4-[3-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 523.4 |
| Molecular Formula: | C22 H23 Br N2 O6 S |
| Smiles: | CCC(N1CCc2cc(c(cc12)S(CCC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3192 |
| logD: | 3.3183 |
| logSw: | -3.7575 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.749 |
| InChI Key: | PLQXTKJLPGUPCE-UHFFFAOYSA-N |