Chemical ID: 7659932

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCn4cc(c(n4)C)Br
Chemical ID:
7659932
Name [?]:
None
SMILES [?]:
CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCn4cc(c(n4)C)Br
InChi [?]:
InChI=1/C20H30BrN3O/c1-3-18(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(25)4-5-24-12-17(21)13(2)23-24/h12,14-16,18H,3-11H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,2,17,18,7,10,12,9,5,13,20,22,8,6,11,21,3,15,4,25,14,23,19,16/E:(6,7,8)(9,10,11)(14,15,16)/rA:25cCCCCCCCCCCCCCNCOCCNCCCNCBr/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s3;s14;d15;s15;s17;s18;s19;d20;s21;s19d22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30BrN3O
All Atoms:55
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:12.0571
Area:565.473
Solvation:-2.07974
Coulombic:-25.6913
Bond Count [?]
All:28
Single:25
Double:3
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.29
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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