Chemical ID: 7686750

Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)N(C)Cc4c(cnn4C)Br
Chemical ID:
7686750
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)N(C)Cc4c(cnn4C)Br
InChi [?]:
InChI=1/C20H25BrN6O/c1-11(2)27-19-18(12(3)24-27)14(8-16(23-19)13-6-7-13)20(28)25(4)10-17-15(21)9-22-26(17)5/h8-9,11,13H,6-7,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:12,13,1,20,27,15,16,5,24,21,11,2,14,4,23,6,22,3,8,17,28,25,7,10,19,26,9,18/E:(1,2)(6,7)/rA:28nCCCCCCNCNNCCCCCCCONCCCCCNNCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s11;s11;s6;s14;s14s15;s4;d17;s17;s19;s19;s21;d22;s23;d24;s22s25;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25BrN6O
All Atoms:53
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.3923
Area:600.91
Solvation:-3.63042
Coulombic:-30.3009
Bond Count [?]
All:31
Single:24
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.53
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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