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Chemical ID: 5495575
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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