N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0207 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C16 H16 Cl N3 O5 S |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2797 |
| logD: | 2.2796 |
| logSw: | -3.3001 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.216 |
| InChI Key: | FGWYUURFECQZNU-UHFFFAOYSA-N |