2-[(3-chlorophenyl)methylidene]-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
2-[(3-chlorophenyl)methylidene]-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | F389-0720 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 408.84 |
| Molecular Formula: | C21 H17 Cl N4 O3 |
| Smiles: | Cc1c(CNC(c2ccc3c(c2)NC(/C(=C\c2cccc(c2)[Cl])O3)=O)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3884 |
| logD: | 3.3884 |
| logSw: | -4.0963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.489 |
| InChI Key: | MMGZVTHIUTUGFV-UHFFFAOYSA-N |