N-[(2Z)-6-methyl-3-(1-oxo-1-{[(oxolan-2-yl)methyl]amino}propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[(2Z)-6-methyl-3-(1-oxo-1-{[(oxolan-2-yl)methyl]amino}propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
N-[(2Z)-6-methyl-3-(1-oxo-1-{[(oxolan-2-yl)methyl]amino}propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V026-1717 |
| Compound Name: | N-[(2Z)-6-methyl-3-(1-oxo-1-{[(oxolan-2-yl)methyl]amino}propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 491.53 |
| Molecular Formula: | C24 H24 F3 N3 O3 S |
| Smiles: | CC(C(NCC1CCCO1)=O)N1/C(=N/C(c2cccc(c2)C(F)(F)F)=O)Sc2cc(C)ccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8138 |
| logD: | 3.8138 |
| logSw: | -4.0413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.939 |
| InChI Key: | YTCAPQRIGMMMPF-FAJYDZGRSA-N |