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Chemical ID: 7409082
Chemical ID:
7409082
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(n3C)C(=O)Nc4cccc5c4cccc5
InChi [?]:
InChI=1/C23H18N4O2/c1-14-7-6-12-27-20(14)25-21-17(23(27)29)13-19(26(21)2)22(28)24-18-11-5-9-15-8-3-4-10-16(15)18/h3-13H,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,16,28,27,22,4,3,29,23,26,21,5,13,2,24,25,10,20,14,7,9,17,11,19,8,15,6,18,12/rA:29nCCCCCNCNCCCOCCNCCONCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s9s14;s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N4O2 |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4463 |
Area: | 574.463 |
Solvation: | -2.91531 |
Coulombic: | -52.0288 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 382.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.84 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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