[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-{5-[(2-fluorophenyl)methyl]-2H-tetrazol-2-yl}benzoate
Chemical Structure Depiction of
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-{5-[(2-fluorophenyl)methyl]-2H-tetrazol-2-yl}benzoate
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-{5-[(2-fluorophenyl)methyl]-2H-tetrazol-2-yl}benzoate
Compound characteristics
| Compound ID: | 8016-4792 |
| Compound Name: | [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-{5-[(2-fluorophenyl)methyl]-2H-tetrazol-2-yl}benzoate |
| Molecular Weight: | 449.45 |
| Molecular Formula: | C21 H20 F N9 O2 |
| Smiles: | CN(C)c1nc(COC(c2ccc(cc2)n2nc(Cc3ccccc3F)nn2)=O)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1051 |
| logD: | 3.105 |
| logSw: | -3.1587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.774 |
| InChI Key: | UMDMUEHCBGXFPS-UHFFFAOYSA-N |