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Chemical ID: 5049619
Chemical ID:
5049619
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Nc2c-3c4c(cccc4n(c2=O)C)C(=O)c5c3cccc5
InChi [?]:
InChI=1/C24H18N2O2/c1-14-10-12-15(13-11-14)25-22-21-16-6-3-4-7-17(16)23(27)18-8-5-9-19(20(18)21)26(2)24(22)28/h3-13,25H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,26,27,14,25,28,13,15,3,7,4,6,2,5,24,23,12,16,11,10,9,21,18,8,17,22,19/E:(10,11)(12,13)/rA:28nCCCCCCCNCCCCCCCCNCOCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;s9s17;d18;s17;s12;d21;s21;s10s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5678 |
Area: | 535.693 |
Solvation: | -2.82455 |
Coulombic: | -39.7719 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 366.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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