N-[3-(cyclohexylsulfanyl)propyl]-4-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-4-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
N-[3-(cyclohexylsulfanyl)propyl]-4-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
Compound characteristics
| Compound ID: | K788-6965 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-4-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C26 H30 N2 O3 S |
| Smiles: | CN1C(/C(=C\c2ccc(cc2)C(NCCCSC2CCCCC2)=O)Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6411 |
| logD: | 4.6411 |
| logSw: | -4.3194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.517 |
| InChI Key: | OPQXVBOMQRDRLT-UHFFFAOYSA-N |