Chemical ID: 5883191

CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)Nc3cccc(c3)F
Chemical ID:
5883191
Name [?]:
2-[ethyl-[(3-fluorophenyl)carbamoyl]amino]-N-[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)Nc3cccc(c3)F
InChi [?]:
InChI=1/C25H30FN5O2/c1-6-30(24(33)27-19-9-7-8-18(26)14-19)16-23(32)28-22-15-21(25(3,4)5)29-31(22)20-12-10-17(2)11-13-20/h7-15H,6,16H2,1-5H3,(H,27,33)(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,19,21,22,23,2,29,30,28,15,17,14,18,32,9,4,16,31,27,13,10,8,5,24,20,33,26,7,11,3,12,6,25/E:(3,4,5)(10,11)(12,13)/rA:33nCCNCCONCCCNNCCCCCCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s10;s20;s20;s20;s3;d24;s24;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30FN5O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.9727
Area:708.346
Solvation:-4.73596
Coulombic:-60.0723
Bond Count [?]
All:35
Single:25
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:451.537
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.34
LogP (Chemaxon):5.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue