N-benzyl-3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-benzyl-3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-benzyl-3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V003-4667 |
| Compound Name: | N-benzyl-3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C29 H30 N4 O2 S |
| Salt: | not_available |
| Smiles: | CN(Cc1ccccc1)c1cc(COC)nc(n1)SCc1cccc(c1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5644 |
| logD: | 5.5406 |
| logSw: | -5.412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.011 |
| InChI Key: | HIRFTQYMWBXDOK-UHFFFAOYSA-N |