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8-Chloro-30-propan-2-yl-2,33-diazanonacyclo[18.10.2.12,5.03,16.04,13.06,11.017,31.022,27.028,32]tritriaconta-1(30),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22,24,26,28-pentadecaene-12,21-dione

HCID 53471063
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Basic information

CAS
71786-28-2
Standard SMILES
CC(C)c1cc2c3ccccc3c(=O)c3ccc4c5ccc6c(=O)c7ccc(Cl)cc7c7nn(c1c4c32)c5c67
InChIKey
IZVKVZJVNCRAEQ-UHFFFAOYSA-N
Molecular formula
C34H19ClN2O2
Average molar mass
523 g/mol
Monoisotopic mass
522.1135055

Names & identifiers

Preferred name
8-Chloro-30-propan-2-yl-2,33-diazanonacyclo[18.10.2.12,5.03,16.04,13.06,11.017,31.022,27.028,32]tritriaconta-1(30),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22,24,26,28-pentadecaene-12,21-dione
IUPAC
8-chloro-30-propan-2-yl-2,33-diazanonacyclo[18.10.2.12,5.03,16.04,13.06,11.017,31.022,27.028,32]tritriaconta-1(30),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22,24,26,28-pentadecaene-12,21-dione

Names & synonyms

NS00062481

Database identifiers

CAS
71786-28-2
PubChem CID
53471063
Nikkaji
J295.088J

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
51.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
39
Formal charge
0
Complexity
1,060

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