Chemical ID: 5495575

Cc1c(cc(cc1OC)C(=O)Nc2ccc(cc2)N3C(=O)c4cccc5c4c(ccc5)C3=O)OC
Chemical ID:
5495575
Name [?]:
None
SMILES [?]:
Cc1c(cc(cc1OC)C(=O)Nc2ccc(cc2)N3C(=O)c4cccc5c4c(ccc5)C3=O)OC
InChi [?]:
InChI=1/C28H22N2O5/c1-16-23(34-2)14-18(15-24(16)35-3)26(31)29-19-10-12-20(13-11-19)30-27(32)21-8-4-6-17-7-5-9-22(25(17)21)28(30)33/h4-15H,1-3H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,9,35,24,30,25,31,23,29,14,18,15,17,6,4,2,26,5,13,16,22,28,7,3,27,10,20,32,12,19,11,21,33,8,34/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(21,22)(23,24)(27,28)(32,33)(34,35)/rA:35nCCCCCCCOCCONCCCCCCNCOCCCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;s19s28;d32;s3;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H22N2O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.1203
Area:682.178
Solvation:-5.93411
Coulombic:-62.3886
Bond Count [?]
All:39
Single:25
Double:14
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:466.485
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.99
LogP (Chemaxon):4.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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