N-acetyl-2-[(3-chloro-4-fluorophenyl)imino]-7-(diethylamino)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-acetyl-2-[(3-chloro-4-fluorophenyl)imino]-7-(diethylamino)-2H-1-benzopyran-3-carboxamide
N-acetyl-2-[(3-chloro-4-fluorophenyl)imino]-7-(diethylamino)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K025-0046A |
| Compound Name: | N-acetyl-2-[(3-chloro-4-fluorophenyl)imino]-7-(diethylamino)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 429.88 |
| Molecular Formula: | C22 H21 Cl F N3 O3 |
| Smiles: | CCN(CC)c1ccc2C=C(/C(=N/c3ccc(c(c3)[Cl])F)Oc2c1)C(NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7714 |
| logD: | 3.7344 |
| logSw: | -4.3225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.122 |
| InChI Key: | TZPUHTPJBKCNGX-UHFFFAOYSA-N |