Chemical ID: 5178825

CCOC(=O)C1CCCN(C1)c2cccc3c2C(=O)c4ccccc4C3=O
Chemical ID:
5178825
Name [?]:
ethyl 1-(9,10-dioxo-1-anthryl)piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)c2cccc3c2C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C22H21NO4/c1-2-27-22(26)14-7-6-12-23(13-14)18-11-5-10-17-19(18)21(25)16-9-4-3-8-15(16)20(17)24/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,22,14,8,7,24,21,15,13,9,11,6,25,20,16,12,17,26,18,4,10,27,19,5,3/rA:27cCCOCOCCCCNCCCCCCCCOCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s16s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.99299
Area:561.076
Solvation:-4.0339
Coulombic:-42.0402
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:363.406
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.98
LogP (Chemaxon):3.28

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