ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-2-(thiophen-2-yl)-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-2-(thiophen-2-yl)-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-2-(thiophen-2-yl)-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-1298 |
| Compound Name: | ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-2-(thiophen-2-yl)-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | CCOC(CN1C(N(c2ccc(C)c(C)c2)c2c1c(C(N)=O)nc(c1cccs1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1122 |
| logD: | 4.1122 |
| logSw: | -4.3476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.255 |
| InChI Key: | FIQXNGIPLJWALZ-UHFFFAOYSA-N |