Chemical ID: 5882501

CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc(cc3)OC
Chemical ID:
5882501
Name [?]:
N-ethyl-4-methoxy-N-[[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H32N4O4/c1-7-29(25(32)18-8-12-20(33-5)13-9-18)17-24(31)27-23-16-22(26(2,3)4)28-30(23)19-10-14-21(34-6)15-11-19/h8-16H,7,17H2,1-6H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,34,20,2,28,32,14,18,29,31,15,17,9,4,27,13,30,16,10,8,5,25,21,7,11,3,12,6,26,33,19/E:(2,3,4)(8,9)(10,11)(12,13)(14,15)/rA:34nCCNCCONCCCNNCCCCCCOCCCCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s21;s21;s3;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N4O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.5844
Area:719.37
Solvation:-6.39984
Coulombic:-57.3031
Bond Count [?]
All:36
Single:26
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:464.557
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.08
LogP (Chemaxon):4.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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