3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-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-[(oxolan-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-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-1512 |
| Compound Name: | 3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 557.76 |
| Molecular Formula: | C32 H39 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1cccc(c1)C(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2383 |
| logD: | 5.1733 |
| logSw: | -4.9747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.809 |
| InChI Key: | VROTZRCRXINVAK-GDLZYMKVSA-N |