methyl 2-(3,5-dinitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-(3,5-dinitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-(3,5-dinitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 8010-1563 |
| Compound Name: | methyl 2-(3,5-dinitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 366.31 |
| Molecular Formula: | C13 H10 N4 O7 S |
| Smiles: | Cc1c(C(=O)OC)sc(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7849 |
| logD: | -0.0892 |
| logSw: | -3.4136 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.89 |
| InChI Key: | KXAMAYGDAFQMOB-UHFFFAOYSA-N |