N-[3-(butylsulfanyl)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-(butylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[3-(butylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C310-3125 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C25 H27 F3 N2 O2 S2 |
| Smiles: | CCCCSCCCNC(c1ccc2c(c1)N(C)C(/C(=C/c1ccc(cc1)C(F)(F)F)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6981 |
| logD: | 5.6981 |
| logSw: | -5.3544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.633 |
| InChI Key: | WPMVUYWEULJEII-UHFFFAOYSA-N |