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Chemical ID: 4562173
Chemical ID:
4562173
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4CC5C(CCC(C5C(=O)NN)O)CN4CC3
InChi [?]:
InChI=1/C20H26N4O2/c21-23-20(26)18-14-9-16-19-13(12-3-1-2-4-15(12)22-19)7-8-24(16)10-11(14)5-6-17(18)25/h1-4,11,14,16-18,22,25H,5-10,21H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,15,26,25,11,23,13,5,7,12,4,10,16,17,8,18,21,9,20,24,22,19/rA:26cCCCCCCCCNCCCCCCCCCONNOCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;s16;s13;s10s23;s24;s7s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 8.16586 |
Area: | 523.139 |
Solvation: | -4.91261 |
Coulombic: | -58.9593 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 354.446 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.88 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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