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Chemical ID: 7659989
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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Experimental Annotations
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Descriptor Annotations
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