N-acetyl-7-(diethylamino)-2-[(2,4-difluorophenyl)imino]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-acetyl-7-(diethylamino)-2-[(2,4-difluorophenyl)imino]-2H-1-benzopyran-3-carboxamide
N-acetyl-7-(diethylamino)-2-[(2,4-difluorophenyl)imino]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K025-0094A |
| Compound Name: | N-acetyl-7-(diethylamino)-2-[(2,4-difluorophenyl)imino]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 413.42 |
| Molecular Formula: | C22 H21 F2 N3 O3 |
| Smiles: | CCN(CC)c1ccc2C=C(/C(=N/c3ccc(cc3F)F)Oc2c1)C(NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0386 |
| logD: | 3.0016 |
| logSw: | -3.4419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.424 |
| InChI Key: | SMJLVFIJVUOXHQ-UHFFFAOYSA-N |