3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-9027 |
| Compound Name: | 3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 553.73 |
| Molecular Formula: | C32 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1cccc(c1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4384 |
| logD: | 6.3732 |
| logSw: | -5.6466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.903 |
| InChI Key: | MYBFQAGOINGEKI-UHFFFAOYSA-N |