2-[(2-chlorophenyl)methylidene]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
2-[(2-chlorophenyl)methylidene]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
2-[(2-chlorophenyl)methylidene]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | F389-0457 |
| Compound Name: | 2-[(2-chlorophenyl)methylidene]-N-(3-methylbutyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C21 H21 Cl N2 O3 |
| Smiles: | CC(C)CCNC(c1ccc2c(c1)NC(/C(=C/c1ccccc1[Cl])O2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.544 |
| logD: | 4.5439 |
| logSw: | -4.5951 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.334 |
| InChI Key: | PCNVUWZPYWTZEG-UHFFFAOYSA-N |