8-Methyl-5,12-diphenyl-3,4,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-4,11-diene-3,10-dicarboxamide

HCID 12284875

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Basic information

CAS: 60312-84-7
Standard SMILES: CN1C2CC(c3ccccc3)=NN(C(N)=O)C2C2CC(c3ccccc3)=NN(C(N)=O)C21
InChIKey: SBVARNBTMVJUCQ-UHFFFAOYSA-N
Molecular formula: C23H25N7O2
Average molar mass: 431.5 g/mol
Monoisotopic mass: 431.20697307

Names & identifiers

Preferred name: 8-Methyl-5,12-diphenyl-3,4,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-4,11-diene-3,10-dicarboxamide
IUPAC: 8-methyl-5,12-diphenyl-3,4,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-4,11-diene-3,10-dicarboxamide

Names & synonyms

DTXSID301109171NSC749512NSC-74951260312-84-71H-Pyrrolo[2,3-c:4,5-ca(2)]dipyridazine-1,6(4H)-dicarboxamide, 4a,5,5a,9,9a,9b-hexahydro-5-methyl-3,8-diphenyl-

Database identifiers

CAS: 60312-84-7
PubChem CID: 12284875
DTXSID: DTXSID301109171

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 121 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 32
Formal charge: 0
Complexity: 815

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