N-(3-{[(furan-2-yl)methyl]carbamoyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(furan-2-yl)methyl]carbamoyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(3-{[(furan-2-yl)methyl]carbamoyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
Compound ID: | D103-1826 |
Compound Name: | N-(3-{[(furan-2-yl)methyl]carbamoyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
Molecular Weight: | 462.52 |
Molecular Formula: | C25 H22 N2 O5 S |
Smiles: | [H]N(C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O)c1c(C(NCc2ccco2)=O)c2CCCc2s1 |
Stereo: | ACHIRAL |
logP: | 5.064 |
logD: | 3.5724 |
logSw: | -4.7239 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.075 |
InChI Key: | LQCNMYWXLZVWAO-UHFFFAOYSA-N |