6-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1019 |
| Compound Name: | 6-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-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)ccc2O1)=O)=O)c1c(C(NC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5119 |
| logD: | 1.0764 |
| logSw: | -4.1012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.698 |
| InChI Key: | BPBHQUBLGYCISG-UHFFFAOYSA-N |