methyl 4-methyl-2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-methyl-2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-1,3-thiazole-5-carboxylate
methyl 4-methyl-2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | Y502-1644 |
| Compound Name: | methyl 4-methyl-2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C18 H17 N5 O5 S |
| Smiles: | Cc1c(C(=O)OC)sc(NC(c2ccccc2Cn2c(C)cc(n2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7158 |
| logD: | 1.6182 |
| logSw: | -3.4779 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.901 |
| InChI Key: | NPYARNDLVAKUQU-UHFFFAOYSA-N |