N-benzyl-5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
N-benzyl-5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0385 |
| Compound Name: | N-benzyl-5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Smiles: | [H]N(Cc1ccccc1)C(c1c(cnc(n1)S(Cc1ccc(C)cc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3683 |
| logD: | 3.3637 |
| logSw: | -3.5115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.829 |
| InChI Key: | PHRKJOBNFCSHMN-UHFFFAOYSA-N |