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Chemical ID: 4568123
Chemical ID:
4568123
Name [?]:
None
SMILES [?]:
CC(C)C(C(=O)Nc1ccc(cc1F)F)NC(=O)N2CC3CC(C2)c4cccc(=O)n4C3
InChi [?]:
InChI=1/C23H26F2N4O3/c1-13(2)21(22(31)26-18-7-6-16(24)9-17(18)25)27-23(32)28-10-14-8-15(12-28)19-4-3-5-20(30)29(19)11-14/h3-7,9,13-15,21H,8,10-12H2,1-2H3,(H,26,31)(H,27,32)
InChi Info:
AuxInfo=1/1/N:1,3,27,26,28,10,9,22,12,20,32,24,2,21,23,11,13,8,25,29,4,5,17,15,14,7,16,19,31,30,6,18/E:(1,2)/rA:32cCCCCCONCCCCCCFFNCONCCCCCCCCCCONC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;s4;s16;d17;s17;s19;s20;s21;s22;s19s23;s23;d25;s26;d27;s28;d29;s25s29;s21s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26F2N4O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.94008 |
Area: | 608.129 |
Solvation: | -5.26314 |
Coulombic: | -74.0274 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 444.475 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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