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Chemical ID: 5681723
Chemical ID:
5681723
Name [?]:
None
SMILES [?]:
CC(C(=O)NC(=O)N)OC(=O)c1c2ccccc2nc3c1CCC3=Cc4ccccc4
InChi [?]:
InChI=1/C24H21N3O4/c1-14(22(28)27-24(25)30)31-23(29)20-17-9-5-6-10-19(17)26-21-16(11-12-18(20)21)13-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H3,25,27,28,30)
InChi Info:
AuxInfo=1/1/N:1,29,28,30,15,16,27,31,14,17,23,22,25,2,26,24,13,21,18,12,20,3,10,6,8,19,5,4,11,7,9/E:(3,4)(7,8)/rA:31cCCCONCONOCOCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s6;s2;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;s22;s20s23;w24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.87319 |
Area: | 621.03 |
Solvation: | -5.65255 |
Coulombic: | -72.1399 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 415.441 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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