methyl 4-[3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)propanamido]benzoate
methyl 4-[3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | C137-0149 |
| Compound Name: | methyl 4-[3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 509.37 |
| Molecular Formula: | C21 H21 Br N2 O6 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(CCC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6855 |
| logD: | 2.6846 |
| logSw: | -3.2684 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.745 |
| InChI Key: | VAUVANVBLDPVRX-UHFFFAOYSA-N |