methyl 4-({5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
methyl 4-({5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D233-0403 |
| Compound Name: | methyl 4-({5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 459.91 |
| Molecular Formula: | C21 H18 Cl N3 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccc(C)cc1)(=O)=O)[Cl])=O)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8677 |
| logD: | 3.4568 |
| logSw: | -4.2908 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.681 |
| InChI Key: | ABEWLABZPIWPCO-UHFFFAOYSA-N |