Chemical ID: 7741248

CCCn1c(=O)c2c(nc3n2c(c(n3c4ccc(cc4)OC)C)C)n(c1=O)C
Chemical ID:
7741248
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2c(nc3n2c(c(n3c4ccc(cc4)OC)C)C)n(c1=O)C
InChi [?]:
InChI=1/C20H23N5O3/c1-6-11-23-18(26)16-17(22(4)20(23)27)21-19-24(12(2)13(3)25(16)19)14-7-9-15(28-5)10-8-14/h7-10H,6,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,24,28,22,2,16,20,17,19,3,13,12,15,18,7,8,5,10,26,9,25,4,14,11,6,27,21/E:(7,8)(9,10)/rA:28nCCCNCOCCNCNCCNCCCCCCOCCCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s13;s12;s8;s4s25;d26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N5O3
All Atoms:51
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.0958
Area:580.02
Solvation:-3.40465
Coulombic:-61.5801
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.13
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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