Chemical ID: 4801500

CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)C
Chemical ID:
4801500
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)C
InChi [?]:
InChI=1/C26H23NO5/c1-3-11-30-18-7-4-6-17(14-18)23-22-24(28)20-13-16(2)9-10-21(20)32-25(22)26(29)27(23)15-19-8-5-12-31-19/h4-10,12-14,23H,3,11,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,7,29,8,6,28,18,19,3,30,16,10,26,17,9,5,27,15,20,12,11,13,22,23,25,14,24,4,31,21/rA:32cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCOC/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;d27;s28;d29;s27s30;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23NO5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.4982
Area:656.882
Solvation:-5.92381
Coulombic:-49.1049
Bond Count [?]
All:36
Single:25
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.465
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.96
LogP (Chemaxon):4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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