methyl 2-(2-{[1-(4-carbamoylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[1-(4-carbamoylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[1-(4-carbamoylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 6406-0120 |
| Compound Name: | methyl 2-(2-{[1-(4-carbamoylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 412.43 |
| Molecular Formula: | C18 H16 N6 O4 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnnn1c1ccc(cc1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2656 |
| logD: | 1.2537 |
| logSw: | -2.3633 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.573 |
| InChI Key: | XYJZXWZYUHBYLT-UHFFFAOYSA-N |