N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl)-beta-alanine
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | 7163-0256 |
| Compound Name: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl)-beta-alanine |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C12 H15 N3 O5 S |
| Smiles: | CN1C(N(C)c2cc(ccc12)S(NCCC(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1 |
| logD: | -2.7589 |
| logSw: | -2.2988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.178 |
| InChI Key: | PCENVEHIUBDTOJ-UHFFFAOYSA-N |