Chemical ID: 5884237

Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCCOC)C(=O)c3ccccc3F
Chemical ID:
5884237
Name [?]:
N-[[2-(2,4-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCCOC)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C28H35FN4O3/c1-19-12-13-23(20(2)16-19)33-25(17-24(31-33)28(3,4)5)30-26(34)18-32(14-9-15-36-6)27(35)21-10-7-8-11-22(21)29/h7-8,10-13,16-17H,9,14-15,18H2,1-6H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,8,15,16,17,27,32,33,24,31,34,3,4,23,25,7,11,21,2,6,30,35,5,12,10,19,28,14,36,18,13,22,9,20,29,26/E:(3,4,5)/rA:36nCCCCCCCCNCCCNCCCCNCOCNCCCOCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;s14;s14;s10;s18;d19;s19;s21;s22;s23;s24;s25;s26;s22;d28;s28;s30;d31;s32;d33;d30s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35FN4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.2728
Area:768.32
Solvation:-6.93524
Coulombic:-54.2479
Bond Count [?]
All:38
Single:28
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:494.601
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.82
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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