methyl 4-(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 5417-0896 |
| Compound Name: | methyl 4-(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnnn1c1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1706 |
| logD: | 3.1706 |
| logSw: | -3.1646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.816 |
| InChI Key: | AKHFJGBXTOFKQF-UHFFFAOYSA-N |