N-{3-[(3-methoxypropyl)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-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1593 |
| Compound Name: | N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C25 H28 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2c(C)cc(C)cc2O1)=O)=O)c1c(C(NCCCOC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6151 |
| logD: | 2.1796 |
| logSw: | -4.5155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.732 |
| InChI Key: | VBHBUVQTLGOLAX-UHFFFAOYSA-N |