methyl 3-{2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamido}benzoate
methyl 3-{2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M179-3219 |
| Compound Name: | methyl 3-{2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | COC(c1cccc(c1)NC(CSc1cc(NCc2ccccc2[Cl])ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6998 |
| logD: | 4.6996 |
| logSw: | -4.8241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.263 |
| InChI Key: | URIHYDZIVQKYSK-UHFFFAOYSA-N |