Chemical ID: 7080835

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OCC=C)CCc5ccccc5
Chemical ID:
7080835
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OCC=C)CCc5ccccc5
InChi [?]:
InChI=1/C30H27NO5/c1-4-16-35-24-13-11-21(18-25(24)34-3)27-26-28(32)22-17-19(2)10-12-23(22)36-29(26)30(33)31(27)15-14-20-8-6-5-7-9-20/h4-13,17-18,27H,1,14-16H2,2-3H3
InChi Info:
AuxInfo=1/0/N:28,1,24,27,34,33,35,32,36,3,18,4,19,30,29,26,7,22,2,31,17,6,5,20,21,10,16,8,11,13,15,9,14,23,25,12/E:(6,7)(8,9)/rA:36cCCCCCCCCOCCOCONCCCCCCCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;d27;s15;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H27NO5
All Atoms:63
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.7187
Area:738.52
Solvation:-6.7443
Coulombic:-52.3775
Bond Count [?]
All:40
Single:27
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:481.539
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.9
LogP (Chemaxon):5.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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