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Chemical ID: 7662868
Chemical ID:
7662868
Name [?]:
None
SMILES [?]:
CC1(CC(CC(N1CC(COCCOc2ccc(cc2)Br)O)(C)C)O)C
InChi [?]:
InChI=1/C20H32BrNO4/c1-19(2)11-16(23)12-20(3,4)22(19)13-17(24)14-25-9-10-26-18-7-5-15(21)6-8-18/h5-8,16-17,23-24H,9-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,23,24,17,19,16,20,12,13,3,5,8,10,18,4,9,15,2,6,21,7,25,22,11,14/E:(1,2,3,4)(5,6)(7,8)(11,12)(19,20)/rA:26cCCCCCCNCCCOCCOCCCCCCBrOCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s9;s6;s6;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32BrNO4 |
All Atoms: | 58 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.54183 |
Area: | 609.114 |
Solvation: | -7.68601 |
Coulombic: | -52.6758 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.31 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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