N-benzyl-3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide
N-benzyl-3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide
Compound characteristics
| Compound ID: | V003-6386 |
| Compound Name: | N-benzyl-3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide |
| Molecular Weight: | 577.79 |
| Molecular Formula: | C35 H39 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1cccc(c1)C(N(C)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8269 |
| logD: | 6.7619 |
| logSw: | -5.6385 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.892 |
| InChI Key: | YATLQCQYKHPKHC-UHFFFAOYSA-N |