N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}acetamide
N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}acetamide
Compound characteristics
| Compound ID: | C301-9161 |
| Compound Name: | N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}acetamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | CC(Nc1ccc(cc1)Sc1nc2c(C(N(C)C(N2C)=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8392 |
| logD: | 1.8392 |
| logSw: | -2.4825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.358 |
| InChI Key: | FBQDDQAVJPNNRC-UHFFFAOYSA-N |