8-{2-methoxy-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{2-methoxy-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{2-methoxy-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8008-9826 |
| Compound Name: | 8-{2-methoxy-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C25 H20 N6 O5 S |
| Smiles: | CN1C(c2c(nc(n2C)Oc2ccc(/C=C3/C(n4c5ccccc5nc4S3)=O)cc2OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.487 |
| logD: | 3.4867 |
| logSw: | -3.924 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.765 |
| InChI Key: | MXNNJPAWNWFNJN-UHFFFAOYSA-N |