Chemical ID: 7340668

Cc1cc(c(c(c1)C)n2c(=O)c(c([nH]c2=O)O)C3c4c(c5ccccc5[nH]4)CCN3)C
Chemical ID:
7340668
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)C)n2c(=O)c(c([nH]c2=O)O)C3c4c(c5ccccc5[nH]4)CCN3)C
InChi [?]:
InChI=1/C24H24N4O3/c1-12-10-13(2)21(14(3)11-12)28-23(30)18(22(29)27-24(28)31)20-19-16(8-9-25-20)15-6-4-5-7-17(15)26-19/h4-7,10-11,20,25-26,29H,8-9H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,8,31,23,24,22,25,28,29,7,3,2,6,4,21,20,26,12,19,18,5,13,10,15,30,27,14,9,17,11,16/E:(2,3)(10,11)(13,14)/rA:31cCCCCCCCCNCOCCNCOOCCCCCCCCCNCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;s9s14;d15;s13;s12;s18;d19;s20;s21;d22;s23;d24;d21s25;s19s26;s20;s28;s18s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N4O3
All Atoms:55
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.5397
Area:590.127
Solvation:-4.21344
Coulombic:-74.3254
Bond Count [?]
All:35
Single:25
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:416.473
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.74
LogP (Chemaxon):2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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