N-{6-methyl-3-[1-oxo-1-({[3-(trifluoromethyl)phenyl]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-({[3-(trifluoromethyl)phenyl]methyl}amino)propan-2-yl]-1,3-benzothiazol-2(3H)-ylidene}-3-(trifluoromethyl)benzamide
N-{6-methyl-3-[1-oxo-1-({[3-(trifluoromethyl)phenyl]methyl}amino)propan-2-yl]-1,3-benzothiazol-2(3H)-ylidene}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V026-3041 |
| Compound Name: | N-{6-methyl-3-[1-oxo-1-({[3-(trifluoromethyl)phenyl]methyl}amino)propan-2-yl]-1,3-benzothiazol-2(3H)-ylidene}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 565.54 |
| Molecular Formula: | C27 H21 F6 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C(NCc1cccc(c1)C(F)(F)F)=O)N1/C(=N/C(c2cccc(c2)C(F)(F)F)=O)Sc2cc(C)ccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7367 |
| logD: | 5.7367 |
| logSw: | -5.5509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.284 |
| InChI Key: | JFLHRUUWRLBANP-INIZCTEOSA-N |