N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1686 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)cc(C)c2O1)=O)=O)c1c(C(N)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0429 |
| logD: | 1.8388 |
| logSw: | -3.5256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.606 |
| InChI Key: | VHQWGGCEESTCGZ-UHFFFAOYSA-N |