methyl 5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y507-3826 |
| Compound Name: | methyl 5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 305.37 |
| Molecular Formula: | C14 H11 N O3 S2 |
| Smiles: | COC(c1ccc(CSc2nc3ccccc3s2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2587 |
| logD: | 4.2587 |
| logSw: | -4.3401 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.063 |
| InChI Key: | XHARXDVWMOJJMT-UHFFFAOYSA-N |