5-chloro-2-[(prop-2-en-1-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-[(prop-2-en-1-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
5-chloro-2-[(prop-2-en-1-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0638 |
| Compound Name: | 5-chloro-2-[(prop-2-en-1-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 412.91 |
| Molecular Formula: | C16 H17 Cl N4 O3 S2 |
| Smiles: | [H]N(CCc1ccc(cc1)S(N)(=O)=O)C(c1c(cnc(n1)SCC=C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8823 |
| logD: | 1.8816 |
| logSw: | -2.7736 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.682 |
| InChI Key: | RMDBZRPHFAUPLM-UHFFFAOYSA-N |