Chemical ID: 4569556

c1ccc2c(c1)c3c([nH]2)C(N4C(C3)C(=O)N(CC4=O)C5CCCC5)c6cccc(c6)[N+](=O)[O-]
Chemical ID:
4569556
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(N4C(C3)C(=O)N(CC4=O)C5CCCC5)c6cccc(c6)[N+](=O)[O-]
InChi [?]:
InChI=1/C25H24N4O4/c30-22-14-27(16-7-1-2-8-16)25(31)21-13-19-18-10-3-4-11-20(18)26-23(19)24(28(21)22)15-6-5-9-17(12-15)29(32)33/h3-6,9-12,16,21,24,26H,1-2,7-8,13-14H2
InChi Info:
AuxInfo=1/0/N:22,23,1,2,27,26,21,24,28,6,3,30,13,17,25,20,29,5,7,4,12,18,8,10,14,9,16,11,31,19,15,32,33/E:(1,2)(7,8)(32,33)/CRV:29.5/rA:33cCCCCCCCCNCNCCCONCCOCCCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;d14;s14;s16;s11s17;d18;s16;s20;s21;s22;s20s23;s10;s25;d26;s27;d28;d25s29;s29;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24N4O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:7.76705
Area:629.372
Solvation:-7.96726
Coulombic:-58.7142
Bond Count [?]
All:38
Single:28
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:444.483
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.97
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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