Chemical ID: 7691304

Cc1cc(c2c(nn(c2n1)C(C)C)C)C(=O)NC34CC5CC(C3)CC(C5)C4
Chemical ID:
7691304
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(nn(c2n1)C(C)C)C)C(=O)NC34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C22H30N4O/c1-12(2)26-20-19(14(4)25-26)18(5-13(3)23-20)21(27)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h5,12,15-17H,6-11H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:12,13,1,14,3,21,24,26,23,19,27,11,2,6,22,20,25,4,5,9,15,18,10,17,7,8,16/E:(1,2)(6,7,8)(9,10,11)(15,16,17)/rA:27nCCCCCCNNCNCCCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s8;s11;s11;s6;s4;d15;s15;s17;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N4O
All Atoms:57
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:11.5878
Area:552.678
Solvation:-2.22916
Coulombic:-32.0332
Bond Count [?]
All:31
Single:26
Double:5
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.05
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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