propan-2-yl 2-[(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
propan-2-yl 2-[(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5039 |
| Compound Name: | propan-2-yl 2-[(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 447.29 |
| Molecular Formula: | C15 H18 I N3 O3 S |
| Smiles: | CC(C)OC(c1c(C)c(C)sc1NC(c1c(cn(C)n1)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4657 |
| logD: | -0.3398 |
| logSw: | -3.8953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.912 |
| InChI Key: | RTEKBHNNELBONF-UHFFFAOYSA-N |