4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | C307-0056 |
| Compound Name: | 4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C29 H28 F N3 O3 |
| Smiles: | C1CCN(C1)CCNC(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4668 |
| logD: | 3.0587 |
| logSw: | -4.4412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.636 |
| InChI Key: | OKNJXNCEQOILIC-UHFFFAOYSA-N |