Chemical ID: 7011918

CCCCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCC=C
Chemical ID:
7011918
Name [?]:
None
SMILES [?]:
CCCCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCC=C
InChi [?]:
InChI=1/C21H25N5O2/c1-3-5-6-8-13-26-18(22)15(20(27)23-11-4-2)14-16-19(26)24-17-10-7-9-12-25(17)21(16)28/h4,7,9-10,12,14,22H,2-3,5-6,8,11,13H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,28,2,27,3,4,17,5,18,16,26,19,6,11,10,12,15,8,13,23,21,9,25,14,20,7,24,22/rA:28nCCCCCCNCNCCCCNCCCCCNCOCONCCC/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;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N5O2
All Atoms:53
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.0901
Area:628.028
Solvation:-2.61059
Coulombic:-64.6481
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:379.456
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.98
LogP (Chemaxon):3.86

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Descriptor Annotations

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