8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-4606 |
| Compound Name: | 8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C18 H23 N9 O3 S |
| Smiles: | CN1C(c2c(nc(n2CC=C)SCc2nc(N)nc(n2)N2CCOCC2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9268 |
| logD: | 1.9267 |
| logSw: | -2.1376 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.876 |
| InChI Key: | YBKOPBFYDARGBZ-UHFFFAOYSA-N |