4-methyl-3-[3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)propanamido]benzoic acid
Chemical Structure Depiction of
4-methyl-3-[3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)propanamido]benzoic acid
4-methyl-3-[3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)propanamido]benzoic acid
Compound characteristics
| Compound ID: | C361-2039 |
| Compound Name: | 4-methyl-3-[3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)propanamido]benzoic acid |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(CCC(Nc1cc(ccc1C)C(O)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1881 |
| logD: | -0.2798 |
| logSw: | -2.7277 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.286 |
| InChI Key: | OWXITWRRIJFQOP-UHFFFAOYSA-N |