4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Chemical Structure Depiction of
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | C700-0826 |
| Compound Name: | 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
| Molecular Weight: | 567.66 |
| Molecular Formula: | C32 H29 N3 O5 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCc3ccc(cc3)S(N)(=O)=O)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4522 |
| logD: | 4.4515 |
| logSw: | -4.4734 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.891 |
| InChI Key: | IZZMAGCBPDQBFC-UHFFFAOYSA-N |