Chemical ID: 6825905

CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)C
Chemical ID:
6825905
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)C
InChi [?]:
InChI=1/C29H25NO6/c1-3-11-33-20-6-4-5-19(14-20)26-25-27(31)21-12-17(2)7-9-22(21)36-28(25)29(32)30(26)15-18-8-10-23-24(13-18)35-16-34-23/h4-10,12-14,26H,3,11,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,2,7,8,6,18,28,19,29,3,16,32,10,26,34,17,27,9,5,15,20,30,31,12,11,13,22,23,25,14,24,4,35,33,21/rA:36cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30s34;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H25NO6
All Atoms:61
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.0142
Area:670.615
Solvation:-5.75114
Coulombic:-59.9733
Bond Count [?]
All:41
Single:29
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:483.512
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.02
LogP (Chemaxon):5.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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