N-[3-(butylsulfanyl)propyl]-4-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-4-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
N-[3-(butylsulfanyl)propyl]-4-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
Compound characteristics
| Compound ID: | K788-6966 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-4-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C24 H28 N2 O3 S |
| Smiles: | CCCCSCCCNC(c1ccc(\C=C2/C(N(C)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0898 |
| logD: | 4.0898 |
| logSw: | -4.2053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.596 |
| InChI Key: | HTFOWUZIBNXGLR-UHFFFAOYSA-N |