N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0307 |
| Compound Name: | N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(methanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N(Cc1ccccc1)C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6731 |
| logD: | 3.6731 |
| logSw: | -3.7602 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.875 |
| InChI Key: | ZMNIATBZPHXKRZ-UHFFFAOYSA-N |