AC1NRHBN
4-tert-butyl-N-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
Also Known As: Oprea1_276683|A1870/0078643|SR-01000521364-1|4-tert-butyl-N-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide|4-tert-Butyl-N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide|4-TERT-BUTYL-N-[2-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3-BENZOTHIAZOL-6-YL]BENZAMIDE|4-tert-butyl-N-[2-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
| Molecular Formula | C29H31N3O2S2 |
|---|---|
| Molecular Weight | 517.1858 g/mol |
| LogP | 7.50216 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.1858 |
| Monoisotopic Mass | 517.1858 |
| Heavy Atoms | 36 |
| Complexity | 1410.4243 |
Chemical Identifiers
| CAS Number | 5801-80-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
AC1NRHBN (CAS 5801-80-9), with molecular formula C29H31N3O2S2 and molecular weight 517.1858 g/mol. IUPAC: 4-tert-butyl-N-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide.