4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-1803 |
| Compound Name: | 4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C26 H33 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccco1)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.023 |
| logD: | 4.453 |
| logSw: | -4.6259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.815 |
| InChI Key: | HNBCFXNCGVJHSM-UHFFFAOYSA-N |