Chemical ID: 7409483

CCn1c(=O)c2c(nc3n2CCN3c4ccc(cc4)Oc5ccccc5)n(c1=O)C
Chemical ID:
7409483
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc3n2CCN3c4ccc(cc4)Oc5ccccc5)n(c1=O)C
InChi [?]:
InChI=1/C22H21N5O3/c1-3-25-20(28)18-19(24(2)22(25)29)23-21-26(13-14-27(18)21)15-9-11-17(12-10-15)30-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,24,23,25,22,26,15,19,16,18,12,11,14,21,17,6,7,4,9,28,8,27,3,13,10,5,29,20/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCNCOCCNCNCCNCCCCCCOCCCCCCNCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;s7;s3s27;d28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N5O3
All Atoms:51
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.5975
Area:599.464
Solvation:-3.38915
Coulombic:-64.1955
Bond Count [?]
All:34
Single:24
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:403.434
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.59
LogP (Chemaxon):4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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