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Chemical ID: 6411293
Chemical ID:
6411293
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(=O)C1)C3(c4ccccc4NC3=O)C(=C(N2c5ccc(cc5F)F)N)C#N)C
InChi [?]:
InChI=1/C25H20F2N4O2/c1-24(2)10-19-21(20(32)11-24)25(14-5-3-4-6-17(14)30-23(25)33)15(12-28)22(29)31(19)18-8-7-13(26)9-16(18)27/h3-9H,10-11,29H2,1-2H3,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,33,12,13,11,14,24,23,26,3,8,31,25,10,19,27,15,22,4,6,5,20,17,2,9,29,28,32,30,16,21,7,18/E:(1,2)/rA:33cCCCCCCOCCCCCCCCNCOCCNCCCCCCFFNCNC/rB:s1;s2;s3;d4;s5;d6;s2s6;s5;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s9;d19;s4s20;s21;s22;d23;s24;d25;d22s26;s27;s25;s20;s19;t31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20F2N4O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.65619 |
Area: | 571.638 |
Solvation: | -5.63476 |
Coulombic: | -59.6129 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 446.449 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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