N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxamide
N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V030-9358 |
| Compound Name: | N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxamide |
| Molecular Weight: | 426.52 |
| Molecular Formula: | C20 H21 F3 N2 O S2 |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCSCC12)C(F)(F)F)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2168 |
| logD: | 4.2168 |
| logSw: | -4.226 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8828 |
| InChI Key: | ITRZNZBDOVUYSS-UHFFFAOYSA-N |