Chemical ID: 7080780

c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)OCc6ccccc6
Chemical ID:
7080780
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)OCc6ccccc6
InChi [?]:
InChI=1/C32H25NO4/c34-30-26-13-7-8-14-27(26)37-31-28(30)29(33(32(31)35)20-19-22-9-3-1-4-10-22)24-15-17-25(18-16-24)36-21-23-11-5-2-6-12-23/h1-18,29H,19-21H2
InChi Info:
AuxInfo=1/0/N:1,35,2,6,34,36,16,17,3,5,33,37,15,18,25,29,26,28,7,8,31,4,32,24,27,14,19,11,10,12,21,22,9,13,23,30,20/E:(3,4)(5,6)(9,10)(11,12)(15,16)(17,18)/rA:37cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H25NO4
All Atoms:62
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.3849
Area:732.069
Solvation:-4.91688
Coulombic:-46.7129
Bond Count [?]
All:42
Single:27
Double:15
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:487.545
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.91
LogP (Chemaxon):6.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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