Chemical ID: 7741442

CCCn1c(cn2c1nc3c2c(=O)n(c(=O)n3C)CCCc4ccccc4)C
Chemical ID:
7741442
Name [?]:
None
SMILES [?]:
CCCn1c(cn2c1nc3c2c(=O)n(c(=O)n3C)CCCc4ccccc4)C
InChi [?]:
InChI=1/C21H25N5O2/c1-4-12-24-15(2)14-26-17-18(22-20(24)26)23(3)21(28)25(19(17)27)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,18,2,25,24,26,20,23,27,21,3,19,6,5,22,11,10,12,8,15,9,17,4,14,7,13,16/E:(6,7)(9,10)/rA:28nCCCNCCNCNCCCONCONCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s9;s7d10;s11;d12;s12;s14;d15;s10s15;s17;s14;s19;s20;s21;s22;d23;s24;d25;d22s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N5O2
All Atoms:53
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:12.9033
Area:612.916
Solvation:-2.41963
Coulombic:-56.3181
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.63
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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