N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0239 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 459.91 |
| Molecular Formula: | C21 H18 Cl N3 O5 S |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)C(c1c(cnc(n1)S(Cc1ccccc1C)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9136 |
| logD: | 3.9134 |
| logSw: | -4.2253 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.945 |
| InChI Key: | JZHXEYMZXNMFKQ-UHFFFAOYSA-N |