methyl 3-{[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
methyl 3-{[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F129-0062 |
| Compound Name: | methyl 3-{[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C17 H15 N3 O5 S |
| Smiles: | CNC1=C(C(=O)Oc2ccccc12)NC(Nc1ccsc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9277 |
| logD: | 1.917 |
| logSw: | -2.6919 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.012 |
| InChI Key: | IRNONAVRYUFJBQ-UHFFFAOYSA-N |