3-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)amino]-3-(4-bromophenyl)propanoic acid
Chemical Structure Depiction of
3-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)amino]-3-(4-bromophenyl)propanoic acid
3-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)amino]-3-(4-bromophenyl)propanoic acid
Compound characteristics
| Compound ID: | E797-0226 |
| Compound Name: | 3-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)amino]-3-(4-bromophenyl)propanoic acid |
| Molecular Weight: | 481.36 |
| Molecular Formula: | C20 H21 Br N2 O5 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NC(CC(O)=O)c1ccc(cc1)[Br])(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1472 |
| logD: | 0.3463 |
| logSw: | -3.3894 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.581 |
| InChI Key: | WKTSFORUTDSIGR-UHFFFAOYSA-N |