Chemical ID: 7740907

CCCn1c(=O)c2c(nc3n2cc(n3c4cccc(c4)C)C)n(c1=O)C
Chemical ID:
7740907
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2c(nc3n2cc(n3c4cccc(c4)C)C)n(c1=O)C
InChi [?]:
InChI=1/C19H21N5O2/c1-5-9-22-17(25)15-16(21(4)19(22)26)20-18-23(15)11-13(3)24(18)14-8-6-7-12(2)10-14/h6-8,10-11H,5,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,22,26,2,17,18,16,3,20,12,19,13,15,7,8,5,10,24,9,23,4,11,14,6,25/rA:26nCCCNCOCCNCNCCNCCCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s19;s13;s8;s4s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N5O2
All Atoms:47
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:11.621
Area:552.632
Solvation:-2.19484
Coulombic:-55.2789
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.41
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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