N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1597 |
| Compound Name: | N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C28 H26 N2 O4 S |
| Smiles: | [H]N(C(C1=CC(c2c(C)cc(C)cc2O1)=O)=O)c1c(C(NCc2ccccc2)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.9228 |
| logD: | 3.7435 |
| logSw: | -5.4942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.276 |
| InChI Key: | DLBUHHPQMZNVEB-UHFFFAOYSA-N |