6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]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-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine
6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]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: | 8018-5073 |
| Compound Name: | 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C24 H27 N7 O4 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)Cc1nc(N)nc(Nc2ccc3c(c2)OCCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7262 |
| logD: | 0.5741 |
| logSw: | -2.3662 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.82 |
| InChI Key: | NKXORSXYDUYCAX-UHFFFAOYSA-N |