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Chemical ID: 5884155
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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