N-[2-(1H-indol-3-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-(1H-indol-3-yl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[2-(1H-indol-3-yl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0455 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C34 H29 N3 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCc3c[nH]c4ccccc34)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4429 |
| logD: | 6.4429 |
| logSw: | -5.846 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.158 |
| InChI Key: | GWVRFFLAONBNTL-UHFFFAOYSA-N |