Chemical ID: 7341891

CCCCn1c(=O)c(c([nH]c1=O)O)C2c3c(c4cc(ccc4[nH]3)C)CCN2
Chemical ID:
7341891
Name [?]:
None
SMILES [?]:
CCCCn1c(=O)c(c([nH]c1=O)O)C2c3c(c4cc(ccc4[nH]3)C)CCN2
InChi [?]:
InChI=1/C20H24N4O3/c1-3-4-9-24-19(26)15(18(25)23-20(24)27)17-16-12(7-8-21-17)13-10-11(2)5-6-14(13)22-16/h5-6,10,17,21-22,25H,3-4,7-9H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,20,21,25,26,4,18,19,16,17,22,8,15,14,9,6,11,27,23,10,5,13,7,12/rA:27cCCCCNCOCCNCOOCCCCCCCCCNCCCN/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s5s10;d11;s9;s8;s14;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s19;s16;s25;s14s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N4O3
All Atoms:51
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.488
Area:566.443
Solvation:-3.67304
Coulombic:-74.7331
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:368.43
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):1.91

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Descriptor Annotations

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