methyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | Y511-9618 |
| Compound Name: | methyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C16 H13 N O2 S2 |
| Smiles: | COC(c1ccc(CSc2nc3ccccc3s2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.615 |
| logD: | 4.615 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.22 |
| InChI Key: | KOZOGTICWSMJFV-UHFFFAOYSA-N |