N-benzyl-4-[({4-tert-butyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-4-[({4-tert-butyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide
N-benzyl-4-[({4-tert-butyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide
Compound characteristics
| Compound ID: | V028-1751 |
| Compound Name: | N-benzyl-4-[({4-tert-butyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide |
| Molecular Weight: | 605.85 |
| Molecular Formula: | C37 H43 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(N(C)Cc1ccccc1)=O)N1CCN(CC1)C/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.7916 |
| logD: | 7.7784 |
| logSw: | -5.6562 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.845 |
| InChI Key: | YRSCBTAYYGHEJK-UHFFFAOYSA-N |