N-[3-(1-{[(4-fluorophenyl)methyl]amino}-1-oxopropan-2-yl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[3-(1-{[(4-fluorophenyl)methyl]amino}-1-oxopropan-2-yl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
N-[3-(1-{[(4-fluorophenyl)methyl]amino}-1-oxopropan-2-yl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V027-6267 |
| Compound Name: | N-[3-(1-{[(4-fluorophenyl)methyl]amino}-1-oxopropan-2-yl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 515.53 |
| Molecular Formula: | C26 H21 F4 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C(NCc1ccc(cc1)F)=O)N1/C(=N/C(c2cccc(c2)C(F)(F)F)=O)Sc2cc(C)ccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9671 |
| logD: | 4.9671 |
| logSw: | -4.7038 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.284 |
| InChI Key: | LBINPEXYSIILFF-INIZCTEOSA-N |