N-[6-methyl-3-(1-oxo-1-{[(pyridin-2-yl)methyl]amino}propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[6-methyl-3-(1-oxo-1-{[(pyridin-2-yl)methyl]amino}propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
N-[6-methyl-3-(1-oxo-1-{[(pyridin-2-yl)methyl]amino}propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V028-9923 |
| Compound Name: | N-[6-methyl-3-(1-oxo-1-{[(pyridin-2-yl)methyl]amino}propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C25 H21 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C(NCc1ccccn1)=O)N1/C(=N/C(c2cccc(c2)C(F)(F)F)=O)Sc2cc(C)ccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0282 |
| logD: | 4.0277 |
| logSw: | -4.1945 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.827 |
| InChI Key: | IXCFWUIVYJZOIQ-INIZCTEOSA-N |