6-methyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-methyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
6-methyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1031 |
| Compound Name: | 6-methyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C25 H26 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)ccc2O1)=O)=O)c1c(C(NCC2CCCO2)=O)c2CCCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6955 |
| logD: | 1.26 |
| logSw: | -4.1916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.931 |
| InChI Key: | BKWXYEZZVMMMTP-OAHLLOKOSA-N |