methyl 4-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 5417-0895 |
| Compound Name: | methyl 4-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C17 H14 F N5 O3 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.015 |
| logD: | 3.0149 |
| logSw: | -3.5484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.212 |
| InChI Key: | ZOOPFABBUWNHIP-UHFFFAOYSA-N |