Chemical ID: 7662868

CC1(CC(CC(N1CC(COCCOc2ccc(cc2)Br)O)(C)C)O)C
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

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Descriptor Annotations

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