N-[3-(cyclohexylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C310-3126 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 534.66 |
| Molecular Formula: | C27 H29 F3 N2 O2 S2 |
| Smiles: | CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccc(cc12)C(NCCCSC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2494 |
| logD: | 6.2494 |
| logSw: | -5.3606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.554 |
| InChI Key: | YNDXXJIVENYAFG-UHFFFAOYSA-N |