methyl 2-[(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-1438 |
| Compound Name: | methyl 2-[(4-iodo-1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 445.28 |
| Molecular Formula: | C15 H16 I N3 O3 S |
| Smiles: | Cn1c(C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)c(cn1)I |
| Stereo: | ACHIRAL |
| logP: | 3.1123 |
| logD: | -1.531 |
| logSw: | -3.4006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.734 |
| InChI Key: | PSDWQKOEAXOBFO-UHFFFAOYSA-N |