6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine
6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y020-6675 |
| Compound Name: | 6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 453.93 |
| Molecular Formula: | C22 H24 Cl N7 O2 |
| Smiles: | C1CN(CCN1Cc1nc(N)nc(Nc2ccc3c(c2)OCCO3)n1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7576 |
| logD: | 2.7362 |
| logSw: | -3.4845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.424 |
| InChI Key: | JJQRTNISJZYLQG-UHFFFAOYSA-N |