Chemical ID: 5882375

CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)c3cc(cc(c3)OC)OC
Chemical ID:
5882375
Name [?]:
N-butyl-3,5-dimethoxy-N-[[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C29H38N4O4/c1-8-9-14-32(28(35)21-15-23(36-6)17-24(16-21)37-7)19-27(34)30-26-18-25(29(3,4)5)31-33(26)22-12-10-20(2)11-13-22/h10-13,15-18H,8-9,14,19H2,1-7H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,21,23,24,25,35,37,2,3,17,19,16,20,4,33,29,31,11,6,18,28,15,32,30,12,10,7,26,22,9,13,5,14,8,27,34,36/E:(3,4,5)(6,7)(10,11)(12,13)(15,16)(23,24)(36,37)/rA:37nCCCCNCCONCCCNNCCCCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s12;s22;s22;s22;s5;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;s30;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N4O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.0065
Area:780.329
Solvation:-6.50176
Coulombic:-57.2718
Bond Count [?]
All:39
Single:29
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:506.637
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.45
LogP (Chemaxon):5.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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