2-{[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8019-8871 |
| Compound Name: | 2-{[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C19 H20 N6 O3 |
| Smiles: | COc1ccccc1Nc1nc(CN2C(C3CC=CCC3C2=O)=O)nc(N)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3403 |
| logD: | 2.3403 |
| logSw: | -2.9526 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.986 |
| InChI Key: | UWXUQAHOAMGIAJ-UHFFFAOYSA-N |