Chemical ID: 7708335

CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2ccc(cc2)Br
Chemical ID:
7708335
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2ccc(cc2)Br
InChi [?]:
InChI=1/C18H19BrN2O4/c1-3-24-17-10-13(4-9-16(17)22)11-20-21-18(23)12(2)25-15-7-5-14(19)6-8-15/h4-12,22H,3H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,2,7,21,23,20,24,8,5,11,16,6,22,19,9,4,14,25,12,13,10,15,3,18/E:(5,6)(7,8)/rA:25cCCOCCCCCCOCNNCOCCOCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19BrN2O4
All Atoms:44
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:7.2451
Area:582.502
Solvation:-7.31745
Coulombic:-49.5577
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.93
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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