4-chloro-N-{1-[1-(3,4-dimethoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}aniline
Chemical Structure Depiction of
4-chloro-N-{1-[1-(3,4-dimethoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}aniline
4-chloro-N-{1-[1-(3,4-dimethoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}aniline
Compound characteristics
| Compound ID: | J034-0097 |
| Compound Name: | 4-chloro-N-{1-[1-(3,4-dimethoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}aniline |
| Molecular Weight: | 413.91 |
| Molecular Formula: | C21 H24 Cl N5 O2 |
| Smiles: | COc1ccc(cc1OC)n1c(C2(CCCCC2)Nc2ccc(cc2)[Cl])nnn1 |
| Stereo: | ACHIRAL |
| logP: | 4.6804 |
| logD: | 4.6804 |
| logSw: | -4.8123 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.566 |
| InChI Key: | PUPCLDWRNWCNBU-UHFFFAOYSA-N |