N-benzyl-5-({[4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide
Chemical Structure Depiction of
N-benzyl-5-({[4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide
N-benzyl-5-({[4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide
Compound characteristics
| Compound ID: | V028-0725 |
| Compound Name: | N-benzyl-5-({[4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide |
| Molecular Weight: | 581.66 |
| Molecular Formula: | C30 H30 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | CN(Cc1ccccc1)C(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)Cc2ccccc2)C(F)(F)F)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.501 |
| logD: | 6.394 |
| logSw: | -5.6015 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.708 |
| InChI Key: | DEPSKPOVLWCFGV-UHFFFAOYSA-N |