N-[3-(cyclohexylsulfanyl)propyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[3-(cyclohexylsulfanyl)propyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-5950 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C32 H33 F N2 O3 S |
| Smiles: | C1CCC(CC1)SCCCNC(c1ccc(/C=C2/C(N(Cc3cccc(c3)F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6508 |
| logD: | 6.6508 |
| logSw: | -6.0459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.48 |
| InChI Key: | DJVLTGKSKJQKNG-UHFFFAOYSA-N |