2-[(3-chlorophenyl)methylidene]-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
2-[(3-chlorophenyl)methylidene]-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | F389-0725 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C25 H25 Cl N4 O3 |
| Smiles: | CCn1c(C)c(CCNC(c2ccc3c(c2)NC(/C(=C\c2cccc(c2)[Cl])O3)=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6563 |
| logD: | 3.6556 |
| logSw: | -4.3349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.341 |
| InChI Key: | QHURVAUOBBZLRG-UHFFFAOYSA-N |