AC1LJIQ2
2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: Oprea1_533653|AK-968/41925398|2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide|2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide|2-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide|2-{3-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]BENZAMIDO}-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C22H23BrN4O2S |
|---|---|
| Molecular Weight | 486.0725 g/mol |
| LogP | 4.7656 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.0725 |
| Monoisotopic Mass | 486.0725 |
| Heavy Atoms | 30 |
| Complexity | 1088.7506 |
Chemical Identifiers
| CAS Number | 514799-85-0 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=CC(=C3)CN4C=C(C=N4)Br)C(=O)N |
Product Overview
AC1LJIQ2 (CAS 514799-85-0), with molecular formula C22H23BrN4O2S and molecular weight 486.0725 g/mol. IUPAC: 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.