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Chemical ID: 7423945
Chemical ID:
7423945
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccccc5)N)C#N
InChi [?]:
InChI=1/C24H20N4O2/c1-27-18-11-6-5-10-16(18)24(23(27)30)17(14-25)22(26)28(15-8-3-2-4-9-15)19-12-7-13-20(29)21(19)24/h2-6,8-11H,7,12-13,26H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,6,5,20,23,27,7,4,21,19,29,22,8,12,3,15,17,16,13,10,9,30,28,2,14,18,11/E:(3,4)(8,9)/rA:30cCNCCCCCCCCOCCNCCCOCCCCCCCCCNCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;d12;s13;s14;s9d15;s16;d17;s17;s19;s15s20;s14;s22;d23;s24;d25;d22s26;s13;s12;t29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N4O2 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4367 |
Area: | 556.602 |
Solvation: | -3.47839 |
Coulombic: | -49.3756 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 396.441 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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