Chemical ID: 6825883

CCOc1cc(ccc1OCC=C)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
Chemical ID:
6825883
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCC=C)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C30H25NO7/c1-3-13-35-22-12-10-19(15-25(22)34-4-2)27-26-28(32)20-7-5-6-8-21(20)38-29(26)30(33)31(27)16-18-9-11-23-24(14-18)37-17-36-23/h3,5-12,14-15,27H,1,4,13,16-17H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,2,20,21,19,22,31,7,32,8,11,35,5,29,37,30,6,18,23,9,33,34,4,15,14,16,25,26,28,17,27,3,10,38,36,24/rA:38cCCOCCCCCCOCCCCCCOCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s6;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H25NO7
All Atoms:63
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:8.85916
Area:674.313
Solvation:-7.99867
Coulombic:-67.5888
Bond Count [?]
All:43
Single:30
Double:13
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:511.522
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.49
LogP (Chemaxon):4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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