N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
Compound characteristics
| Compound ID: | C046-0258 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide |
| Molecular Weight: | 523.7 |
| Molecular Formula: | C28 H37 N5 O3 S |
| Smiles: | CCN(CCCNC(CCCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6621 |
| logD: | 2.6298 |
| logSw: | -2.9167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.778 |
| InChI Key: | KZBDYGKWRHTKDK-UHFFFAOYSA-N |