Chemical ID: 7011931

CCCCn1c(=N)c(cc2c1nc3c(cccn3c2=O)C)C(=O)NCCOC
Chemical ID:
7011931
Name [?]:
None
SMILES [?]:
CCCCn1c(=N)c(cc2c1nc3c(cccn3c2=O)C)C(=O)NCCOC
InChi [?]:
InChI=1/C20H25N5O3/c1-4-5-9-24-16(21)14(19(26)22-8-11-28-3)12-15-18(24)23-17-13(2)7-6-10-25(17)20(15)27/h6-7,10,12,21H,4-5,8-9,11H2,1-3H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,21,28,2,3,16,15,25,4,17,26,9,14,8,10,6,13,11,22,19,7,24,12,5,18,23,20,27/rA:28nCCCCNCNCCCCNCCCCCNCOCCONCCOC/rB:s1;s2;s3;s4;s5;w6;s6;d8;s9;s5d10;s11;d12;s13;d14;s15;d16;s13s17;s10s18;d19;s14;s8;d22;s22;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N5O3
All Atoms:53
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0826
Area:608.475
Solvation:-4.12929
Coulombic:-69.8483
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:383.444
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.19
LogP (Chemaxon):2.62

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Descriptor Annotations

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