{[3-amino-2-(methoxycarbonyl)-1-benzothiophen-6-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[3-amino-2-(methoxycarbonyl)-1-benzothiophen-6-yl]sulfanyl}acetic acid
{[3-amino-2-(methoxycarbonyl)-1-benzothiophen-6-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 8012-4868 |
| Compound Name: | {[3-amino-2-(methoxycarbonyl)-1-benzothiophen-6-yl]sulfanyl}acetic acid |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C12 H11 N O4 S2 |
| Smiles: | COC(c1c(c2ccc(cc2s1)SCC(O)=O)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9945 |
| logD: | -1.4918 |
| logSw: | -2.3615 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.929 |
| InChI Key: | CPDBJGICLLKUOX-UHFFFAOYSA-N |