Chemical ID: 7211940

CC(=O)N1c2c3ccccc3ccc2C4=C(C1c5cc(c(c(c5)Cl)O)OC)C(=O)CC(C4)(C)C
Chemical ID:
7211940
Name [?]:
None
SMILES [?]:
CC(=O)N1c2c3ccccc3ccc2C4=C(C1c5cc(c(c(c5)Cl)O)OC)C(=O)CC(C4)(C)C
InChi [?]:
InChI=1/C28H26ClNO4/c1-15(31)30-25(17-11-21(29)27(33)23(12-17)34-4)24-20(13-28(2,3)14-22(24)32)19-10-9-16-7-5-6-8-18(16)26(19)30/h5-12,25,33H,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,34,27,9,8,10,7,12,13,23,19,32,30,2,11,18,6,14,15,22,28,20,16,17,5,21,31,24,4,3,29,25,26/E:(2,3)/rA:34cCCONCCCCCCCCCCCCCCCCCCCClOOCCOCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;d5s13;s14;d15;s4s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s20;s26;s16;d28;s28;s30;s15s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26ClNO4
All Atoms:60
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.79996
Area:627.747
Solvation:-5.89371
Coulombic:-48.0746
Bond Count [?]
All:38
Single:27
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:475.963
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.39
LogP (Chemaxon):5.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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