methyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamido)benzoate
methyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8015-9959 |
| Compound Name: | methyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamido)benzoate |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(Cn1nc(c2ccc(cc2)SC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2428 |
| logD: | 3.2355 |
| logSw: | -3.6203 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.967 |
| InChI Key: | BIKFYCSKEHEWKM-UHFFFAOYSA-N |