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Chemical ID: 7341891
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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