Chemical ID: 6411293

CC1(CC2=C(C(=O)C1)C3(c4ccccc4NC3=O)C(=C(N2c5ccc(cc5F)F)N)C#N)C
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

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Descriptor Annotations

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