N-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanine
N-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | K906-1255 |
| Compound Name: | N-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanine |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C14 H18 N2 O5 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5774 |
| logD: | -2.2815 |
| logSw: | -2.309 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.917 |
| InChI Key: | XCTRDRLWSRMJSX-UHFFFAOYSA-N |