3-(3-methyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl)propanoic acid
Chemical Structure Depiction of
3-(3-methyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl)propanoic acid
3-(3-methyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl)propanoic acid
Compound characteristics
| Compound ID: | 1300-0269 |
| Compound Name: | 3-(3-methyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl)propanoic acid |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C11 H12 N2 O2 S |
| Smiles: | CN1C(N(CCC(O)=O)c2ccccc12)=S |
| Stereo: | ACHIRAL |
| logP: | 0.703 |
| logD: | -1.8039 |
| logSw: | -1.6686 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.212 |
| InChI Key: | MSSKJZNLJOAGRP-UHFFFAOYSA-N |