methyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophene-2-carboxylate
methyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y504-5579 |
| Compound Name: | methyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophene-2-carboxylate |
| Molecular Weight: | 321.44 |
| Molecular Formula: | C14 H11 N O2 S3 |
| Smiles: | COC(c1cc(CSc2nc3ccccc3s2)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5411 |
| logD: | 4.5411 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2405 |
| InChI Key: | DIHSYWNKPDGETN-UHFFFAOYSA-N |