2-{[1-(3-chloro-4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[1-(3-chloro-4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-phenylethan-1-one
2-{[1-(3-chloro-4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 3736-0059 |
| Compound Name: | 2-{[1-(3-chloro-4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 348.78 |
| Molecular Formula: | C15 H10 Cl F N4 O S |
| Smiles: | C(C(c1ccccc1)=O)Sc1nnnn1c1ccc(c(c1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.5071 |
| logD: | 3.5071 |
| logSw: | -3.9822 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.136 |
| InChI Key: | PMZXRXQNXQAZGN-UHFFFAOYSA-N |