ethyl 2-[(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5224 |
| Compound Name: | ethyl 2-[(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 459.3 |
| Molecular Formula: | C16 H18 I N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1c(cnn1C)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4946 |
| logD: | -1.1487 |
| logSw: | -3.8916 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.314 |
| InChI Key: | DRRCFZAGRRKYKS-UHFFFAOYSA-N |