Chemical ID: 5885147

Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)c3cccc(c3)F
Chemical ID:
5885147
Name [?]:
3-fluoro-N-isobutyl-N-[[2-(m-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C27H33FN4O2/c1-18(2)16-31(26(34)20-10-8-11-21(28)14-20)17-25(33)29-24-15-23(27(4,5)6)30-32(24)22-12-7-9-19(3)13-22/h7-15,18H,16-17H2,1-6H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:24,25,1,14,15,16,4,30,3,29,31,5,7,33,10,22,20,23,2,28,32,6,11,9,18,26,13,34,17,12,21,8,19,27/E:(1,2)(4,5,6)/rA:34nCCCCCCCNCCCNCCCCNCOCNCCCCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;s13;s13;s9;s17;d18;s18;s20;s21;s22;s23;s23;s21;d26;s26;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33FN4O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.165
Area:714.181
Solvation:-4.68949
Coulombic:-48.1367
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.575
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.51
LogP (Chemaxon):6.02

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Descriptor Annotations

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