methyl 4-{2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M179-3343 |
| Compound Name: | methyl 4-{2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1cc(NCc2ccc(cc2)[Cl])ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3319 |
| logD: | 4.3316 |
| logSw: | -4.5257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.263 |
| InChI Key: | XGRQWPPRVAPBGF-UHFFFAOYSA-N |