N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
Compound characteristics
| Compound ID: | C046-0249 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCCC(NCC3COc4ccccc4O3)=O)=O)C=Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4405 |
| logD: | 1.4405 |
| logSw: | -2.3391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.626 |
| InChI Key: | ZNQQRXCOKWXDNR-INIZCTEOSA-N |