6-[(4-benzylpiperazin-1-yl)methyl]-N~2~-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-[(4-benzylpiperazin-1-yl)methyl]-N~2~-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
6-[(4-benzylpiperazin-1-yl)methyl]-N~2~-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y021-0351 |
| Compound Name: | 6-[(4-benzylpiperazin-1-yl)methyl]-N~2~-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 439.95 |
| Molecular Formula: | C22 H26 Cl N7 O |
| Smiles: | COc1ccc(cc1Nc1nc(CN2CCN(CC2)Cc2ccccc2)nc(N)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3653 |
| logD: | 3.0958 |
| logSw: | -3.7091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.814 |
| InChI Key: | MMWJAPAHCKINPU-UHFFFAOYSA-N |