methyl 5-(2-methylpropyl)-2-[2-(4-nitro-1H-indol-1-yl)acetamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-(2-methylpropyl)-2-[2-(4-nitro-1H-indol-1-yl)acetamido]-1,3-thiazole-4-carboxylate
methyl 5-(2-methylpropyl)-2-[2-(4-nitro-1H-indol-1-yl)acetamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y044-4317 |
| Compound Name: | methyl 5-(2-methylpropyl)-2-[2-(4-nitro-1H-indol-1-yl)acetamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C19 H20 N4 O5 S |
| Smiles: | CC(C)Cc1c(C(=O)OC)nc(NC(Cn2ccc3c(cccc23)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3334 |
| logD: | 4.2125 |
| logSw: | -4.3598 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.298 |
| InChI Key: | HLBMEXOPQOMFCU-UHFFFAOYSA-N |