2-(3-hydroxyanilino)-2-oxoethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
Chemical Structure Depiction of
2-(3-hydroxyanilino)-2-oxoethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
2-(3-hydroxyanilino)-2-oxoethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 8012-8655 |
| Compound Name: | 2-(3-hydroxyanilino)-2-oxoethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate |
| Molecular Weight: | 457.46 |
| Molecular Formula: | C20 H19 N5 O6 S |
| Smiles: | CCOC(CSc1nnnn1c1ccc(cc1)C(=O)OCC(Nc1cccc(c1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6158 |
| logD: | 2.6089 |
| logSw: | -2.6502 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.943 |
| InChI Key: | JCACUYUNGBCEHM-UHFFFAOYSA-N |