N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0519 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 445.88 |
| Molecular Formula: | C20 H16 Cl N3 O5 S |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.858 |
| logD: | 2.8578 |
| logSw: | -3.426 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.945 |
| InChI Key: | YXJAEFWDSKWRJT-UHFFFAOYSA-N |