methyl 4-[(5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]benzoate
methyl 4-[(5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D233-0103 |
| Compound Name: | methyl 4-[(5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C21 H18 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0582 |
| logD: | 5.0077 |
| logSw: | -5.2214 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.817 |
| InChI Key: | RUPIDKPTOXJGAP-UHFFFAOYSA-N |