methyl 3-{[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
methyl 3-{[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
Compound characteristics
Compound ID: | F129-0129 |
Compound Name: | methyl 3-{[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate |
Molecular Weight: | 387.41 |
Molecular Formula: | C18 H17 N3 O5 S |
Smiles: | CCNC1=C(C(=O)Oc2ccccc12)NC(Nc1ccsc1C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 2.2902 |
logD: | 2.2795 |
logSw: | -3.0606 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 85.488 |
InChI Key: | NCXOENKJKDTRAI-UHFFFAOYSA-N |