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Chemical ID: 4902930
Chemical ID:
4902930
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3CC(C)C)C(=O)NC(C)C
InChi [?]:
InChI=1/C20H25N5O2/c1-11(2)10-25-16(21)14(19(26)22-12(3)4)9-15-18(25)23-17-13(5)7-6-8-24(17)20(15)27/h6-9,11-12,21H,10H2,1-5H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:20,21,26,27,1,4,3,5,13,18,19,25,2,14,10,15,7,9,22,11,16,24,8,6,17,23,12/E:(1,2)(3,4)/rA:27nCCCCCNCNCCCOCCCNNCCCCCONCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;s19;s14;d22;s22;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N5O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7263 |
Area: | 565.439 |
Solvation: | -2.40971 |
Coulombic: | -62.6586 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 367.445 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.99 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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