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Chemical ID: 5797674
Chemical ID:
5797674
Name [?]:
N-allyl-N,2,3-triphenyl-quinoxaline-6-carboxamide
SMILES [?]:
C=CCN(c1ccccc1)C(=O)c2ccc3c(c2)nc(c(n3)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C30H23N3O/c1-2-20-33(25-16-10-5-11-17-25)30(34)24-18-19-26-27(21-24)32-29(23-14-8-4-9-15-23)28(31-26)22-12-6-3-7-13-22/h2-19,21H,1,20H2
InChi Info:
AuxInfo=1/0/N:1,2,26,32,8,25,27,31,33,7,9,24,28,30,34,6,10,14,15,3,18,23,29,13,5,16,17,21,20,11,22,19,4,12/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:34nCCCNCCCCCCCOCCCCCCNCCNCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s4;d11;s11;s13;d14;s15;s16;d13s17;d17;s19;d20;d16s21;s21;s23;d24;s25;d26;d23s27;s20;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H23N3O |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7923 |
Area: | 663.249 |
Solvation: | -2.78892 |
Coulombic: | -35.1282 |
Bond Count [?]
All: | 38 |
Single: | 22 |
Double: | 16 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 441.523 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.23 |
LogP (Chemaxon): | 6.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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