4-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-6-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-6-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
4-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-6-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | K220-25022 |
| Compound Name: | 4-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-6-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid |
| Molecular Weight: | 462.89 |
| Molecular Formula: | C25 H19 Cl N2 O5 |
| Smiles: | COc1ccc2c(C=C(/C(=N/c3ccc(cc3)C(O)=O)O2)C(NCc2cccc(c2)[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5473 |
| logD: | 1.1572 |
| logSw: | -4.6531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.31 |
| InChI Key: | DXKBEBLHAYEMEP-UHFFFAOYSA-N |