Chemical ID: 5750015

COC(=O)c1ccc(cc1)OC(=O)CN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
Chemical ID:
5750015
Name [?]:
None
SMILES [?]:
COC(=O)c1ccc(cc1)OC(=O)CN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C28H21NO6/c1-34-28(33)15-10-12-16(13-11-15)35-21(30)14-29-26(31)24-22-17-6-2-3-7-18(17)23(25(24)27(29)32)20-9-5-4-8-19(20)22/h2-13,22-25H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,33,34,21,24,32,35,6,10,7,9,14,5,8,20,25,31,30,12,19,26,18,27,16,28,3,15,13,17,29,4,2,11/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(17,18,19,20)(22,23)(24,25)(26,27)(31,32)/rA:35cCOCOCCCCCCOCOCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s18s26;s15s27;d28;s26;s19s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H21NO6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:11.875
Area:670.44
Solvation:-4.88598
Coulombic:-63.8424
Bond Count [?]
All:40
Single:27
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:467.469
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.79
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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