methyl 3-{[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
methyl 3-{[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F129-0203 |
| Compound Name: | methyl 3-{[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C19 H19 N3 O5 S |
| Smiles: | CCCNC1=C(C(=O)Oc2ccccc12)NC(Nc1ccsc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7315 |
| logD: | 2.7207 |
| logSw: | -3.5229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.703 |
| InChI Key: | JDGXYBFMDAHPRS-UHFFFAOYSA-N |