methyl N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninate
methyl N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K906-1529 |
| Compound Name: | methyl N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninate |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C14 H18 N2 O5 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.658 |
| logD: | 0.6579 |
| logSw: | -2.4052 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.107 |
| InChI Key: | POXZJXDYEWBYIO-UHFFFAOYSA-N |