N-[4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide
N-[4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V027-1969 |
| Compound Name: | N-[4,5-dimethyl-3-{[3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide |
| Molecular Weight: | 583.63 |
| Molecular Formula: | C30 H28 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1=C(C)SC(=N/C(c2ccc(c(c2)OC)OC)=O)\N1Cc1cccc(c1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1317 |
| logD: | 5.1317 |
| logSw: | -5.1424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.434 |
| InChI Key: | KKWFVSMMCDYYCY-UHFFFAOYSA-N |