Chemical ID: 7080508

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)Br)CCCOC
Chemical ID:
7080508
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)Br)CCCOC
InChi [?]:
InChI=1/C22H20BrNO4/c1-13-4-9-17-16(12-13)20(25)18-19(14-5-7-15(23)8-6-14)24(10-3-11-27-2)22(26)21(18)28-17/h4-9,12,19H,3,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,25,3,18,22,19,21,4,24,26,7,2,17,20,6,5,10,16,8,11,13,23,15,9,14,27,12/E:(5,6)(7,8)/rA:28cCCCCCCCCOCCOCONCCCCCCCBrCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20BrNO4
All Atoms:48
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.6929
Area:611.571
Solvation:-4.59638
Coulombic:-43.4554
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:442.303
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.82
LogP (Chemaxon):3.8

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