N-(4-chlorophenyl)-4-(7-methyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)butanamide
Basic information
- CAS
63272-60-6- Standard SMILES
CC1=NC2=NC(CCCC(=O)Nc3ccc(Cl)cc3)=NC3=CC=CC(=N1)N32- InChIKey
SMYVMQWSDPQHRN-UHFFFAOYSA-N- Molecular formula
- C19H17ClN6O
- Average molar mass
- 380.8 g/mol
- Monoisotopic mass
- 380.1152369
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-4-(7-methyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)butanamide
- IUPAC
- N-(4-chlorophenyl)-4-(7-methyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)butanamide
Names & synonyms
NSC29994763272-60-6DTXSID30316146NSC-299947N-(4-Chlorophenyl)-4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanamide
Database identifiers
- CAS
63272-60-6- PubChem CID
- 327002
- DTXSID
DTXSID30316146
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 814
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…