Chemical ID: 4587198

CCOc1ccc(cc1)N2CCCCn3c2nc4c3c(=O)[nH]c(=O)n4C
Chemical ID:
4587198
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)N2CCCCn3c2nc4c3c(=O)[nH]c(=O)n4C
InChi [?]:
InChI=1/C18H21N5O3/c1-3-26-13-8-6-12(7-9-13)22-10-4-5-11-23-14-15(19-17(22)23)21(2)18(25)20-16(14)24/h6-9H,3-5,10-11H2,1-2H3,(H,20,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,12,13,6,8,5,9,11,14,7,4,19,18,20,16,23,17,22,25,10,15,21,24,3/E:(6,7)(8,9)/rA:26nCCOCCCCCCNCCCCNCNCCCONCONC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s10s15;d16;s17;s15d18;s19;d20;s20;s22;d23;s18s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N5O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.82256
Area:535.651
Solvation:-3.56871
Coulombic:-66.0659
Bond Count [?]
All:29
Single:22
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:355.391
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.59
LogP (Chemaxon):2.99

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Descriptor Annotations

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