N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1928 |
| Compound Name: | N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C24 H26 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)c(C)cc2O1)=O)=O)c1c(C(NCCOC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3531 |
| logD: | 1.9176 |
| logSw: | -4.4675 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.732 |
| InChI Key: | PRTQISBTCWBCOH-UHFFFAOYSA-N |