Chemical ID: 5884155

Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(C)C(=O)CC(C)(C)C
Chemical ID:
5884155
Name [?]:
N-[[2-(2,4-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N,3,3-trimethyl-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(C)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C24H36N4O2/c1-16-10-11-18(17(2)12-16)28-20(13-19(26-28)24(6,7)8)25-21(29)15-27(9)22(30)14-23(3,4)5/h10-13H,14-15H2,1-9H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,8,28,29,30,15,16,17,23,3,4,7,11,26,21,2,6,5,12,10,19,24,27,14,18,13,22,9,20,25/E:(3,4,5)(6,7,8)/rA:30nCCCCCCCCNCCCNCCCCNCOCNCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;s14;s14;s10;s18;d19;s19;s21;s22;s22;d24;s24;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H36N4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.054
Area:667.501
Solvation:-3.63352
Coulombic:-42.4808
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.568
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):5.19

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Descriptor Annotations

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