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Chemical ID: 5683921
Chemical ID:
5683921
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4
InChi [?]:
InChI=1/C22H20N2O4/c25-19(15-7-3-1-4-8-15)14-28-22(27)16-10-11-17-18(13-16)23-20-9-5-2-6-12-24(20)21(17)26/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,27,25,3,5,28,14,15,24,18,9,4,13,16,17,7,20,22,11,19,21,8,23,12,10/E:(3,4)(7,8)/rA:28nCCCCCCCOCOCOCCCCCCNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;d19;s20;s16s21;d22;s21;s24;s25;s26;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9071 |
Area: | 595.725 |
Solvation: | -3.98605 |
Coulombic: | -50.7255 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.405 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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