N-[2-(dimethylamino)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-(dimethylamino)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[2-(dimethylamino)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0319 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C28 H29 N3 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCN(C)C)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4939 |
| logD: | 3.6546 |
| logSw: | -4.3073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.425 |
| InChI Key: | YBJXLURLZWLDBB-UHFFFAOYSA-N |