N-benzyl-N-methyl-5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-benzyl-N-methyl-5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide
N-benzyl-N-methyl-5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | V003-5463 |
| Compound Name: | N-benzyl-N-methyl-5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 581.66 |
| Molecular Formula: | C30 H30 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(C(N(C)Cc2ccccc2)=O)o1)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.8895 |
| logD: | 6.8893 |
| logSw: | -5.7925 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.235 |
| InChI Key: | XBNPJUSCADJMIV-UHFFFAOYSA-N |