4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide
Chemical Structure Depiction of
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | K788-6761 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide |
| Molecular Weight: | 627.57 |
| Molecular Formula: | C35 H32 Cl2 N4 O3 |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4927 |
| logD: | 6.4686 |
| logSw: | -6.5797 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.53 |
| InChI Key: | SJLXVMYITCDKAS-UHFFFAOYSA-N |