methyl 4-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8014-6008 |
| Compound Name: | methyl 4-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 403.84 |
| Molecular Formula: | C17 H14 Cl N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnnn1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5807 |
| logD: | 3.5806 |
| logSw: | -4.1051 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.212 |
| InChI Key: | RBQFBTZXZUMKTG-UHFFFAOYSA-N |