3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0156 |
| Compound Name: | 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C13 H13 N5 O2 S2 |
| Smiles: | Cc1csc(n1)Sc1nc2c(C(NC(N2C)=O)=O)n1CC=C |
| Stereo: | ACHIRAL |
| logP: | 2.6991 |
| logD: | 2.6984 |
| logSw: | -2.9899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.351 |
| InChI Key: | VGUQVCQXXCXSIB-UHFFFAOYSA-N |