N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(3-methylphenyl)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-methylphenyl)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-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0437 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 607.15 |
| Molecular Formula: | C36 H35 Cl N4 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCN3CCN(CC3)c3cccc(c3)[Cl])=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.5445 |
| logD: | 6.5204 |
| logSw: | -6.2711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.53 |
| InChI Key: | ZNPVBZPLHGQYEC-UHFFFAOYSA-N |