Chemical ID: 5074026

COc1ccccc1NC(=O)CN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
Chemical ID:
5074026
Name [?]:
None
SMILES [?]:
COc1ccccc1NC(=O)CN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C27H22N2O4/c1-33-20-13-7-6-12-19(20)28-21(30)14-29-26(31)24-22-15-8-2-3-9-16(15)23(25(24)27(29)32)18-11-5-4-10-17(18)22/h2-13,22-25H,14H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,20,21,31,32,6,5,19,22,30,33,7,4,12,18,23,29,28,8,3,10,17,24,16,25,14,26,9,13,11,15,27,2/E:(2,3,4,5)(8,9,10,11)(15,16,17,18)(22,23)(24,25)(26,27)(31,32)/rA:33cCOCCCCCCNCOCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;s13s25;d26;s24;s17s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H22N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:10.2554
Area:622.663
Solvation:-5.31115
Coulombic:-53.8032
Bond Count [?]
All:38
Single:26
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:438.475
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.24
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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