6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(3-methylphenyl)-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-methylphenyl)-1,3,5-triazine-2,4-diamine
6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y020-0670 |
| Compound Name: | 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C23 H27 N7 O2 |
| Smiles: | Cc1cccc(c1)Nc1nc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1136 |
| logD: | 1.9615 |
| logSw: | -2.9796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.997 |
| InChI Key: | XJSZPZODEYGCDW-UHFFFAOYSA-N |