Chemical ID: 7080809

CCc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
Chemical ID:
7080809
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
InChi [?]:
InChI=1/C28H25NO3/c1-3-19-10-12-21(13-11-19)25-24-26(30)22-17-18(2)9-14-23(22)32-27(24)28(31)29(25)16-15-20-7-5-4-6-8-20/h4-14,17,25H,3,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,29,28,30,27,31,16,4,8,5,7,17,25,24,14,15,3,26,6,13,18,10,9,11,20,21,23,12,22,19/E:(5,6)(7,8)(10,11)(12,13)/rA:32cCCCCCCCCCCCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25NO3
All Atoms:57
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.5146
Area:667.1
Solvation:-3.1629
Coulombic:-38.3617
Bond Count [?]
All:36
Single:24
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:423.503
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.63
LogP (Chemaxon):6.02

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Experimental Annotations

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Descriptor Annotations

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