7,8-dimethyl-4-oxo-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7,8-dimethyl-4-oxo-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-4H-1-benzopyran-2-carboxamide
7,8-dimethyl-4-oxo-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1824 |
| Compound Name: | 7,8-dimethyl-4-oxo-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C28 H26 N2 O4 S |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O)c1c(C(NCCc2ccccc2)=O)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2469 |
| logD: | 3.5042 |
| logSw: | -5.1778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.168 |
| InChI Key: | JACZIBNTVOISQY-UHFFFAOYSA-N |