N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M179-4034 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1cc(NCc2ccc(cc2)[Cl])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8356 |
| logD: | 3.8353 |
| logSw: | -4.3858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.526 |
| InChI Key: | JBLZLNKMSMMBDQ-UHFFFAOYSA-N |