Chemical ID: 7011924

CCCCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NC4CCCC4
Chemical ID:
7011924
Name [?]:
None
SMILES [?]:
CCCCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NC4CCCC4
InChi [?]:
InChI=1/C23H29N5O2/c1-2-3-4-8-14-28-20(24)17(22(29)25-16-10-5-6-11-16)15-18-21(28)26-19-12-7-9-13-27(19)23(18)30/h7,9,12-13,15-16,24H,2-6,8,10-11,14H2,1H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,28,29,17,5,18,27,30,16,19,6,11,26,10,12,15,8,13,23,21,9,25,14,20,7,24,22/E:(5,6)(10,11)/rA:30nCCCCCCNCNCCCCNCCCCCNCOCONCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;w8;s8;d10;s11;s7d12;s13;d14;s15;d16;s17;d18;s15s19;s12s20;d21;s10;d23;s23;s25;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29N5O2
All Atoms:59
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.8046
Area:653.668
Solvation:-2.53713
Coulombic:-63.6066
Bond Count [?]
All:33
Single:25
Double:8
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:407.509
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.63
LogP (Chemaxon):4.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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