Chemical ID: 7080812

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC=C)CCc5ccccc5
Chemical ID:
7080812
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC=C)CCc5ccccc5
InChi [?]:
InChI=1/C29H25NO4/c1-3-17-33-22-12-10-21(11-13-22)26-25-27(31)23-18-19(2)9-14-24(23)34-28(25)29(32)30(26)16-15-20-7-5-4-6-8-20/h3-14,18,26H,1,15-17H2,2H3
InChi Info:
AuxInfo=1/0/N:26,1,25,32,31,33,30,34,3,18,22,19,21,4,28,27,24,7,2,29,17,20,6,5,10,16,8,11,13,15,9,14,23,12/E:(5,6)(7,8)(10,11)(12,13)/rA:34cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s15;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H25NO4
All Atoms:59
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.6649
Area:688.513
Solvation:-4.54796
Coulombic:-46.3608
Bond Count [?]
All:38
Single:25
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:451.513
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.25
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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