Chemical ID: 7408652

Cc1cc(c2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cc(c(c(c4)Br)O)OC)Cc5ccco5)C
Chemical ID:
7408652
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cc(c(c(c4)Br)O)OC)Cc5ccco5)C
InChi [?]:
InChI=1/C25H20BrNO6/c1-12-7-13(2)23-16(8-12)21(28)19-20(14-9-17(26)22(29)18(10-14)31-3)27(25(30)24(19)33-23)11-15-5-4-6-32-15/h4-10,20,29H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,26,30,29,31,3,7,22,18,27,2,4,17,28,6,21,19,10,16,8,20,5,11,13,23,15,9,24,14,25,32,12/rA:33cCCCCCCCCOCCOCONCCCCCCCBrOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s20;s19;s25;s15;s27;d28;s29;d30;s28s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20BrNO6
All Atoms:53
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.30361
Area:663.541
Solvation:-7.28492
Coulombic:-63.3794
Bond Count [?]
All:37
Single:26
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:510.333
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.8
LogP (Chemaxon):4.57

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Descriptor Annotations

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