2-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino}-2-oxoethyl cyclohexyl(methyl)carbamodithioate
Chemical Structure Depiction of
2-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino}-2-oxoethyl cyclohexyl(methyl)carbamodithioate
2-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino}-2-oxoethyl cyclohexyl(methyl)carbamodithioate
Compound characteristics
| Compound ID: | Y020-6960 |
| Compound Name: | 2-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino}-2-oxoethyl cyclohexyl(methyl)carbamodithioate |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C21 H27 N5 O3 S3 |
| Smiles: | Cc1ccnc(NS(c2ccc(cc2)NC(CSC(N(C)C2CCCCC2)=S)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2508 |
| logD: | 2.6391 |
| logSw: | -3.5871 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.355 |
| InChI Key: | JXZZUIIVDWUKCO-UHFFFAOYSA-N |