N-{2-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]butan-2-yl}-4-methoxyaniline
Chemical Structure Depiction of
N-{2-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]butan-2-yl}-4-methoxyaniline
N-{2-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]butan-2-yl}-4-methoxyaniline
Compound characteristics
| Compound ID: | J034-1128 |
| Compound Name: | N-{2-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]butan-2-yl}-4-methoxyaniline |
| Molecular Weight: | 357.84 |
| Molecular Formula: | C18 H20 Cl N5 O |
| Smiles: | CCC(C)(c1nnnn1c1ccc(cc1)[Cl])Nc1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6781 |
| logD: | 4.6781 |
| logSw: | -4.734 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.837 |
| InChI Key: | SPVAIOJVIKNVQU-SFHVURJKSA-N |