Chemical ID: 5882014

CC(C)CN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)c3ccc(cc3)C(C)(C)C
Chemical ID:
5882014
Name [?]:
N-isobutyl-N-[(2-phenyl-5-tert-butyl-pyrazol-3-yl)carbamoylmethyl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C30H40N4O2/c1-21(2)19-33(28(36)22-14-16-23(17-15-22)29(3,4)5)20-27(35)31-26-18-25(30(6,7)8)32-34(26)24-12-10-9-11-13-24/h9-18,21H,19-20H2,1-8H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,3,34,35,36,22,23,24,18,17,19,16,20,28,32,29,31,11,4,6,2,27,30,15,12,10,7,25,33,21,9,13,5,14,8,26/E:(1,2)(3,4,5)(6,7,8)(10,11)(12,13)(14,15)(16,17)/rA:36nCCCCNCCONCCCNNCCCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s12;s21;s21;s21;s5;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N4O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:15.3644
Area:763.161
Solvation:-3.71462
Coulombic:-46.5815
Bond Count [?]
All:38
Single:28
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:488.664
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.73
LogP (Chemaxon):7.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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