N-{1-[1-(2-ethyl-6-methylphenyl)-1H-tetrazol-5-yl]-4-methylcyclohexyl}-2,3-dihydro-1,4-benzodioxin-6-amine
Chemical Structure Depiction of
N-{1-[1-(2-ethyl-6-methylphenyl)-1H-tetrazol-5-yl]-4-methylcyclohexyl}-2,3-dihydro-1,4-benzodioxin-6-amine
N-{1-[1-(2-ethyl-6-methylphenyl)-1H-tetrazol-5-yl]-4-methylcyclohexyl}-2,3-dihydro-1,4-benzodioxin-6-amine
Compound characteristics
| Compound ID: | J034-1375 |
| Compound Name: | N-{1-[1-(2-ethyl-6-methylphenyl)-1H-tetrazol-5-yl]-4-methylcyclohexyl}-2,3-dihydro-1,4-benzodioxin-6-amine |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C25 H31 N5 O2 |
| Smiles: | CCc1cccc(C)c1n1c(C2(CCC(C)CC2)Nc2ccc3c(c2)OCCO3)nnn1 |
| Stereo: | ACHIRAL |
| logP: | 5.2133 |
| logD: | 5.2132 |
| logSw: | -5.1466 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.527 |
| InChI Key: | QLJNHJAQILBJQU-UHFFFAOYSA-N |