AC1N6NSW
6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: Oprea1_387726|SR-01000445743-1|F0836-0007|6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide|8-oxo-N-phenyl-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide|6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide|6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide|8-oxo-N-phenyl-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide
| Molecular Formula | C18H19N3OS |
|---|---|
| Molecular Weight | 325.12488 g/mol |
| LogP | 2.6644 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.12488 |
| Monoisotopic Mass | 325.12488 |
| Heavy Atoms | 23 |
| Complexity | 786.35376 |
Chemical Identifiers
| CAS Number | 654052-83-2 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NC4=CC=CC=C4 |
Product Overview
AC1N6NSW (CAS 654052-83-2), with molecular formula C18H19N3OS and molecular weight 325.12488 g/mol. IUPAC: 6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.