2-benzylidene-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8676 |
| Compound Name: | 2-benzylidene-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 512.65 |
| Molecular Formula: | C31 H29 F N2 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2)F)C(/C(=C/c2ccccc2)S3)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.5767 |
| logD: | 6.5767 |
| logSw: | -6.1498 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.516 |
| InChI Key: | FRFOTLFLIIPJHN-UHFFFAOYSA-N |