Chemical ID: 7659989

Cc1c(cn(n1)CCC(=O)NC23CC4CC(C2)CC(C4)C3)Br
Chemical ID:
7659989
Name [?]:
None
SMILES [?]:
Cc1c(cn(n1)CCC(=O)NC23CC4CC(C2)CC(C4)C3)Br
InChi [?]:
InChI=1/C17H24BrN3O/c1-11-15(18)10-21(20-11)3-2-16(22)19-17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,2-9H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,8,7,15,18,20,17,13,21,4,2,16,14,19,3,9,12,22,11,6,5,10/E:(4,5,6)(7,8,9)(12,13,14)/rA:22nCCCCNNCCCONCCCCCCCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24BrN3O
All Atoms:46
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:10.5279
Area:503.678
Solvation:-2.06408
Coulombic:-24.7804
Bond Count [?]
All:25
Single:22
Double:3
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.66
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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