4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{2-[4-(methylsulfanyl)phenyl]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-(methylsulfanyl)phenyl]ethyl}benzamide
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
Compound characteristics
| Compound ID: | C700-0462 |
| Compound Name: | 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide |
| Molecular Weight: | 534.68 |
| Molecular Formula: | C33 H30 N2 O3 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCc3ccc(cc3)SC)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.8109 |
| logD: | 6.8109 |
| logSw: | -5.6262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.288 |
| InChI Key: | OPCYSZYGUQYYMQ-UHFFFAOYSA-N |