N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1144 |
| Compound Name: | N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)cc2O1)=O)=O)c1c(C(NCc2ccco2)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0311 |
| logD: | 2.8518 |
| logSw: | -4.7299 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.025 |
| InChI Key: | KKDGCWIBTCLYLJ-UHFFFAOYSA-N |