methyl 2-{2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8017-7511 |
| Compound Name: | methyl 2-{2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 425.29 |
| Molecular Formula: | C18 H14 Cl2 N2 O4 S |
| Smiles: | Cc1c(cc2c(c1[Cl])oc(n2)SCC(Nc1ccccc1C(=O)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8003 |
| logD: | 4.7874 |
| logSw: | -5.044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.489 |
| InChI Key: | STUMLWQVOWCFEO-UHFFFAOYSA-N |