Chemical ID: 7011974

CCCCCCn1c(=N)c(cc2c1nc3ccc(cn3c2=O)C)C(=O)NCC
Chemical ID:
7011974
Name [?]:
None
SMILES [?]:
CCCCCCn1c(=N)c(cc2c1nc3ccc(cn3c2=O)C)C(=O)NCC
InChi [?]:
InChI=1/C21H27N5O2/c1-4-6-7-8-11-25-18(22)15(20(27)23-5-2)12-16-19(25)24-17-10-9-14(3)13-26(17)21(16)28/h9-10,12-13,22H,4-8,11H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,28,23,2,27,3,4,5,17,16,6,11,19,18,10,12,15,8,13,24,21,9,26,14,7,20,25,22/rA:28nCCCCCCNCNCCCCNCCCCCNCOCCONCC/rB:s1;s2;s3;s4;s5;s6;s7;w8;s8;d10;s11;s7d12;s13;d14;s15;d16;s17;d18;s15s19;s12s20;d21;s18;s10;d24;s24;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N5O2
All Atoms:55
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.0828
Area:625.187
Solvation:-2.54685
Coulombic:-62.9869
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:381.472
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.94
LogP (Chemaxon):3.92

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