N-{3-[(3-ethoxypropyl)carbamoyl]-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-[(3-ethoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-{3-[(3-ethoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1617 |
| Compound Name: | N-{3-[(3-ethoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C26 H30 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2c(C)cc(C)cc2O1)=O)=O)c1c(C(NCCCOCC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9188 |
| logD: | 2.4833 |
| logSw: | -4.6673 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.367 |
| InChI Key: | ZQRFCLBHKVBONN-UHFFFAOYSA-N |