ethyl 3-{[N-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanyl]amino}benzoate
ethyl 3-{[N-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanyl]amino}benzoate
Compound characteristics
| Compound ID: | C464-1317 |
| Compound Name: | ethyl 3-{[N-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanyl]amino}benzoate |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C23 H27 N3 O6 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(Nc1cccc(c1)C(=O)OCC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2909 |
| logD: | 3.2908 |
| logSw: | -3.7011 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.164 |
| InChI Key: | YIMXZVXDSOJWRW-UHFFFAOYSA-N |