N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alanine
N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | K906-2069 |
| Compound Name: | N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alanine |
| Molecular Weight: | 300.29 |
| Molecular Formula: | C11 H12 N2 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NCCC(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1749 |
| logD: | -3.0338 |
| logSw: | -2.3285 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.359 |
| InChI Key: | PSBGFCAFVMLKTR-UHFFFAOYSA-N |