6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(4-phenoxyphenyl)-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~-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine
6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y020-8277 |
| Compound Name: | 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 511.58 |
| Molecular Formula: | C28 H29 N7 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)Cc1nc(N)nc(Nc2ccc(cc2)Oc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4437 |
| logD: | 3.2917 |
| logSw: | -4.471 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.744 |
| InChI Key: | DTMAGRCSPNYHIS-UHFFFAOYSA-N |