7-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
7-methyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
7-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: | D103-1145 |
Compound Name: | 7-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(c2ccc(C)cc2O1)=O)=O)c1c(C(NCC2CCCO2)=O)c2CCCCc2s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8311 |
logD: | 1.3956 |
logSw: | -4.2483 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.931 |
InChI Key: | IIGNZOMDRDWNPQ-OAHLLOKOSA-N |