AC1O9VJK
3-(2-hydroxy-4-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide
Also Known As: 3-(2-hydroxy-4-methylphenyl)-N-(3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-pyrazole-5-carboxamide|3-(2-hydroxy-4-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide|5-(2-hydroxy-4-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide|N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14127 g/mol |
| LogP | 3.64292 |
| Topological Polar Surface Area | 107.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.14127 |
| Monoisotopic Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 1099.539 |
Chemical Identifiers
| CAS Number | 879463-33-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NC)O |
Product Overview
AC1O9VJK (CAS 879463-33-9), with molecular formula C21H22N4O3S and molecular weight 410.14127 g/mol. IUPAC: 3-(2-hydroxy-4-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide.
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