N-benzyl-4-[({4-methyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-benzyl-4-[({4-methyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-benzyl-4-[({4-methyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-6445 |
| Compound Name: | N-benzyl-4-[({4-methyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 549.74 |
| Molecular Formula: | C33 H35 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccccc1)=O)N1CCN(CC1)C/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1489 |
| logD: | 6.1356 |
| logSw: | -5.5088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.915 |
| InChI Key: | FRQKMNGIJXKRQC-UHFFFAOYSA-N |