6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y020-0672 |
| Compound Name: | 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C24 H29 N7 O2 |
| Smiles: | Cc1ccc(cc1C)Nc1nc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.741 |
| logD: | 2.589 |
| logSw: | -3.9958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.997 |
| InChI Key: | RDDBFBQVXQXYJB-UHFFFAOYSA-N |