1,5,8,12-Tetraazatricyclo(10.4.4.2(sup 5,8))docosa-14,18-diene-13,16,17,20-tetrone, (Z,Z)-
Basic information
- CAS
39756-43-9- Standard SMILES
O=C1/C=C\C(=O)N2CCCN3CCN(CCCN1C(=O)/C=C\C2=O)CC3- InChIKey
RXWDWGSLSQQBNY-GLIMQPGKSA-N- Molecular formula
- C18H24N4O4
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.17975526
Names & identifiers
- Preferred name
- 1,5,8,12-Tetraazatricyclo(10.4.4.2(sup 5,8))docosa-14,18-diene-13,16,17,20-tetrone, (Z,Z)-
- IUPAC
- (14Z,18Z)-1,5,8,12-tetrazatricyclo[10.4.4.25,8]docosa-14,18-diene-13,16,17,20-tetrone
Names & synonyms
1,5,8,12-Tetraazatricyclo(10.4.4.2(sup 5,8))docosa-14,18-diene-13,16,17,20-tetrone, (Z,Z)-39756-43-9RefChem:1053401(Z,Z)-1,5,8,12-Tetraazatricyclo(10.4.4.2(sup 5,8))docosa-14,18-diene-13,16,17,20-tetrone
Database identifiers
- CAS
39756-43-9- PubChem CID
- 6445673
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 558
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Compound notes
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