5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-tetrazole
Chemical Structure Depiction of
5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-tetrazole
5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-tetrazole
Compound characteristics
| Compound ID: | 3448-1095 |
| Compound Name: | 5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-tetrazole |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C18 H12 Cl N5 O2 S |
| Smiles: | C(c1c(cccc1[Cl])[N+]([O-])=O)Sc1nnnn1c1cccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.2888 |
| logD: | 5.2888 |
| logSw: | -6.1516 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.397 |
| InChI Key: | JKMZHOHQEPNDBU-UHFFFAOYSA-N |