6,8-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
6,8-dimethyl-4-oxo-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-4H-1-benzopyran-2-carboxamide
6,8-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: | D103-1712 |
| Compound Name: | 6,8-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(c2cc(C)cc(C)c2O1)=O)=O)c1c(C(NCCc2ccccc2)=O)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1528 |
| logD: | 3.4101 |
| logSw: | -5.0815 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.168 |
| InChI Key: | KLILCEHUZOKNNP-UHFFFAOYSA-N |