N-benzyl-2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamide
N-benzyl-2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | M179-4019 |
Compound Name: | N-benzyl-2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamide |
Molecular Weight: | 398.91 |
Molecular Formula: | C20 H19 Cl N4 O S |
Smiles: | C(c1ccccc1)NC(CSc1cc(NCc2ccc(cc2)[Cl])ncn1)=O |
Stereo: | ACHIRAL |
logP: | 3.9225 |
logD: | 3.9223 |
logSw: | -4.4135 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.411 |
InChI Key: | IUIAFZNJCOZCOQ-UHFFFAOYSA-N |