methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | D276-0304 |
| Compound Name: | methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | Cc1cccc(c1)NC(c1c(C)cc(C)nc1SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9956 |
| logD: | 4.9952 |
| logSw: | -4.7838 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.935 |
| InChI Key: | NPAOGXLLXPHREK-UHFFFAOYSA-N |