N-(2-methoxy-5-nitrophenyl)-N~2~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]glycinamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-N~2~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]glycinamide
N-(2-methoxy-5-nitrophenyl)-N~2~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]glycinamide
Compound characteristics
| Compound ID: | 3909-9414 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-N~2~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]glycinamide |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C21 H21 N5 O6 S |
| Smiles: | COc1ccc(cc1NC(CNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2016 |
| logD: | 2.1825 |
| logSw: | -3.0208 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.097 |
| InChI Key: | HQRYQOXDNFJBIV-UHFFFAOYSA-N |