[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]acetic acid
[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | Y205-5437 |
| Compound Name: | [(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]acetic acid |
| Molecular Weight: | 283.3 |
| Molecular Formula: | C12 H13 N O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8862 |
| logD: | -2.4823 |
| logSw: | -2.0699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.209 |
| InChI Key: | JFPVLTFNFLIBDA-UHFFFAOYSA-N |