Chemical ID: 7383933

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OC)CCc5ccc(cc5)OC
Chemical ID:
7383933
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OC)CCc5ccc(cc5)OC
InChi [?]:
InChI=1/C29H26ClNO6/c1-16-13-23-20(15-21(16)30)27(32)25-26(18-7-10-22(35-3)24(14-18)36-4)31(29(33)28(25)37-23)12-11-17-5-8-19(34-2)9-6-17/h5-10,13-15,26H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,37,27,25,31,35,19,32,34,20,29,28,3,23,6,2,30,18,33,5,7,21,4,22,11,17,9,12,14,8,16,10,15,36,26,24,13/E:(5,6)(8,9)/rA:37cCCCCCCCClCOCCOCONCCCCCCCOCOCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s16;s28;s29;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26ClNO6
All Atoms:63
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:10.6752
Area:756.365
Solvation:-8.23396
Coulombic:-56.3168
Bond Count [?]
All:41
Single:29
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:519.973
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.61
LogP (Chemaxon):4.91

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Descriptor Annotations

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