N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C307-0196 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 611.12 |
| Molecular Formula: | C35 H32 Cl F N4 O3 |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(c1ccc(/C=C2/C(N(Cc3cccc(c3)F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0201 |
| logD: | 5.996 |
| logSw: | -6.378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.53 |
| InChI Key: | JMKMILZVRMRXNW-UHFFFAOYSA-N |