3-benzyl-1-methyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-1-methyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
3-benzyl-1-methyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D226-0128 |
| Compound Name: | 3-benzyl-1-methyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C15 H14 N4 O2 S |
| Smiles: | CN1C(N(Cc2ccccc2)C(c2c1nc1n2CCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3438 |
| logD: | 2.3264 |
| logSw: | -2.5926 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.199 |
| InChI Key: | OXJYFYPEEUUUPH-UHFFFAOYSA-N |