2-methoxy-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
2-methoxy-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzamide
2-methoxy-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | C301-9148 |
| Compound Name: | 2-methoxy-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccc(cc2)NC(c2ccccc2OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2941 |
| logD: | 3.2922 |
| logSw: | -3.9902 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.818 |
| InChI Key: | ZLRMJEMYLQZKSY-UHFFFAOYSA-N |