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Chemical ID: 5178721
Chemical ID:
5178721
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1NC(=O)CN2c3cccc4c3c(ccc4)C2=O)C(=O)OC
InChi [?]:
InChI=1/C22H18N2O4/c1-13-9-10-15(22(27)28-2)11-17(13)23-19(25)12-24-18-8-4-6-14-5-3-7-16(20(14)18)21(24)26/h3-11H,12H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,21,15,22,16,20,14,3,4,6,11,2,17,5,19,7,13,9,18,23,25,8,12,10,24,26,27/rA:28nCCCCCCCNCOCNCCCCCCCCCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s12s19;d23;s5;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1431 |
Area: | 581.247 |
Solvation: | -4.38802 |
Coulombic: | -57.4147 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.28 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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