Chemical ID: 4574685

CC(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccc(cc5)OC
Chemical ID:
4574685
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccc(cc5)OC
InChi [?]:
InChI=1/C29H27NO4/c1-18(2)20-10-12-21(13-11-20)26-25-27(31)23-6-4-5-7-24(23)34-28(25)29(32)30(26)17-16-19-8-14-22(33-3)15-9-19/h4-15,18,26H,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,34,16,17,15,18,28,32,5,9,6,8,29,31,26,25,2,27,4,7,30,14,19,11,10,12,21,22,24,13,23,33,20/E:(1,2)(8,9)(10,11)(12,13)(14,15)/rA:34cCCCCCCCCCCCCOCCCCCCOCCONCCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27NO4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.9043
Area:698.3
Solvation:-4.55321
Coulombic:-45.1301
Bond Count [?]
All:38
Single:26
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:453.529
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.61
LogP (Chemaxon):5.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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